diff --git a/orca_wb97x_631gd_chno_30_100/README.md b/orca_wb97x_631gd_chno_30_100/README.md
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+# ORCA wB97X/6-31G(d) CHNO Hessians
+
+This folder contains 710 neutral CHNO geometries with ORCA analytical Hessians.
+
+- Method: wB97X
+- Basis: 6-31G(d)
+- Atom counts: 30-100
+- Samples per atom count: 10
+- Geometry files: `xyz/*.xyz`
+- Targets: `h5/*.h5`
+
+Each HDF5 file contains `energy_hartree`, `forces_hartree_per_bohr`, and `hessian_hartree_per_bohr2`, plus atom metadata and coordinates. See `metadata.csv` for the mapping between source names, XYZ files, and HDF5 files.
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diff --git a/orca_wb97x_631gd_chno_30_100/summary.json b/orca_wb97x_631gd_chno_30_100/summary.json
new file mode 100644
index 0000000000000000000000000000000000000000..01426ecf89e1c121da1165170672c13f96db21ba
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/summary.json
@@ -0,0 +1,20 @@
+{
+  "dataset": "orca_wb97x_631gd_chno_30_100",
+  "num_samples": 710,
+  "atom_counts": {
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+    "max": 100
+  },
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+    "gradient_hartree_per_bohr",
+    "forces_hartree_per_bohr",
+    "hessian_hartree_per_bohr2"
+  ]
+}
diff --git a/orca_wb97x_631gd_chno_30_100/xyz/PubChem_5280344.xyz b/orca_wb97x_631gd_chno_30_100/xyz/PubChem_5280344.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4706b3597f35eb90350f5aa07e5b2ea2bd0c8f31
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new file mode 100644
index 0000000000000000000000000000000000000000..98a6e17605150670612499801d89dd187f7b55fc
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/PubChem_5280349.xyz
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new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..b89283e09bf221a734b86c226bac846e9bd7c73a
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new file mode 100644
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index 0000000000000000000000000000000000000000..fe72f20878270dba5813113cbb740910732fbb54
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n036_pubchem_07_18c479e66d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n036_pubchem_07_18c479e66d.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n036_pubchem_09_be2e4d5977.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n036_pubchem_09_be2e4d5977.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_01_4eb027dcbc.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_01_4eb027dcbc.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_02_217dcc809e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_02_217dcc809e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_03_580fa98d04.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_03_580fa98d04.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_04_61dd8ca006.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_04_61dd8ca006.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_05_de8c8b427f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_05_de8c8b427f.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_06_1d5c8eabfd.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_06_1d5c8eabfd.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_07_d9d4d1746a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n037_pubchem_07_d9d4d1746a.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..7b374fd50c478776b936a1fdc39be5a55f74159b
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_01_0ed8e34947.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_01_0ed8e34947.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_02_6a1c45dc86.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_02_6a1c45dc86.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_03_db29b2d64e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_03_db29b2d64e.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..c6bcdeeb756adac19ed2d8e39922dd5f31d7ff00
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_07_189d10f67c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_07_189d10f67c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_08_63fd89c2c7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_08_63fd89c2c7.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_09_46d090e834.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_09_46d090e834.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_10_338dca548c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n038_pubchem_10_338dca548c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_01_0a1f9a6ff4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_01_0a1f9a6ff4.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_05_0c072af82c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_05_0c072af82c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_06_d085bfa194.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_06_d085bfa194.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_07_e7d49cf581.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_07_e7d49cf581.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_08_19ac0cd72c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_08_19ac0cd72c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..32bfe4a18bfe1c7aa81686d1dbccaeaef6744ad8
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_10_393aa24b9c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n039_pubchem_10_393aa24b9c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n040_pubchem_02_ff48672c70.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n040_pubchem_02_ff48672c70.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n040_pubchem_03_2ab1cea975.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n040_pubchem_03_2ab1cea975.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n041_pubchem_01_434c9ac63c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n041_pubchem_01_434c9ac63c.xyz
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new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n048_pubchem_09_68626f3de9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n048_pubchem_09_68626f3de9.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_04_75d6f3ff41.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_04_75d6f3ff41.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_05_daebe26f58.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_05_daebe26f58.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_06_8c5a97034c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_06_8c5a97034c.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..38367ef6fbd2706af939e7c289e4dad409c21a6f
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_08_1a5ea51236.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_08_1a5ea51236.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_09_cd8b704331.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_09_cd8b704331.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_10_2496d633d4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n055_pubchem_10_2496d633d4.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_01_41eff9c083.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_01_41eff9c083.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_05_ee3544631b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_05_ee3544631b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_06_5988b8111b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_06_5988b8111b.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_07_56c6a0fd9e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_07_56c6a0fd9e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_08_91987b7faf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_08_91987b7faf.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f923da10c53eaeac14cf70f81076c3d01c1fa1ac
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_09_84f4f79063.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_09_84f4f79063.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..bf88948b69057687c5c6c31302364e3471886dc9
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_10_ee5527efa4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n056_pubchem_10_ee5527efa4.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_01_e0f136ae4e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_01_e0f136ae4e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_02_7376d129cf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_02_7376d129cf.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..e99183ccad3ba76e1852bf105401051589d12a91
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_04_9e73667af4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_04_9e73667af4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..11066ae02736436050a5d291173373b0eb4fca79
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_05_170f1834a5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_05_170f1834a5.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_06_a60eb6f81e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_06_a60eb6f81e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_07_8351675e3e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_07_8351675e3e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_08_27044f327b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_08_27044f327b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f011a1bd025f3999ad845df6ec0c716a8987ac15
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_09_d8c5182e70.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_09_d8c5182e70.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f191b51523bca2390b6c97549a1d6d8c2eb3758b
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_10_e4b6ba3d4d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n057_pubchem_10_e4b6ba3d4d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f33247e1d511b1146eca7b96ed5a1e5719e8d351
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_01_a0f776f2c2.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_01_a0f776f2c2.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..aaab5895f739d69d91bf2d470c7cc811f338d112
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_01_a0f776f2c2.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_02_01d0200b95.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_02_01d0200b95.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f889124c3f516b617a2ded6b71b3c29e04237d0b
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_02_01d0200b95.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_03_b4a120b4f9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_03_b4a120b4f9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..605245006efb62a1c5386071eb01aecbb47d4230
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_03_b4a120b4f9.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_04_061ec4e0c3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_04_061ec4e0c3.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4d5da0a44f979776b372374710e11e74e5e6e1c2
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_05_5cb32520b1.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_05_5cb32520b1.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..78828aba0e92d72f6d131a8eb6145c79c2aeb36c
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_06_368b458437.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_06_368b458437.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..bd620a5ce884b4bfa4458925f2b60e81392ece6c
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_06_368b458437.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_07_c28c33020b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_07_c28c33020b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d71027f1766f5979a781fd8ce147809fb0a86704
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_07_c28c33020b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_08_cf06f97a88.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_08_cf06f97a88.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_09_644b4dc9f4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_09_644b4dc9f4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d62294854dc9d00b35bae1be6e66892e014530fa
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_09_644b4dc9f4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_10_d2fc68093c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n058_pubchem_10_d2fc68093c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..92c3810450010778b4f75872188f96bb0c1e9a88
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_01_7024e44286.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_01_7024e44286.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..250272c7ba6d06b0c81f9e7f83a3d95ab7a8ba1f
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_02_6eb9ca28fa.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_02_6eb9ca28fa.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..39f3511719e0838d441ff1d21ec5e1a6c70359dd
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_02_6eb9ca28fa.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_03_56843db544.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_03_56843db544.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6cb47ddac072852e167850c31beb882b67169791
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_03_56843db544.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_04_439a7dfc2f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_04_439a7dfc2f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ddb2ee981ad6d651c78726abd6d8c1ed9fab0f3d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_05_9d1a458962.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_05_9d1a458962.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_06_cf5e2da492.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_06_cf5e2da492.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c7d67dd52e570a9b52a8a8b1b626389fd49fa86f
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_07_cc6c190e99.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_07_cc6c190e99.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e384e06ae55ac91991f46b454542fb0372a352d7
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_08_b796b63db4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_08_b796b63db4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..615c0ea247330c55ec45d1680af9ac6646747204
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_08_b796b63db4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_09_e6009c3f6f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_09_e6009c3f6f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a2414002bb6d6de1c28a60f96d391c5e0ec2a210
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_10_b4e17844c7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n059_pubchem_10_b4e17844c7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c002eb0d896413703809e20c3d777d17a30a9933
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_01_ac1d6483b5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_01_ac1d6483b5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..964292fc3f316e88763a5496cc412f2d58e52a7c
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_01_ac1d6483b5.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_02_df5102ff5f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_02_df5102ff5f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..79e6ad6e5b982009eafeec5bf79844d0f0cb0d5c
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_02_df5102ff5f.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_03_18eaa476d3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_03_18eaa476d3.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..860ce40279a1245b5503f1313c6f0bccb4ecaa42
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_03_18eaa476d3.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_04_2547711f10.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_04_2547711f10.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8b4e6082f4f52282e791cb94b8bd97b0e19000e8
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_05_84927fecef.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_05_84927fecef.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6a30ea37b8702ea66572df99c34ce457cb784668
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_06_7f8f7a12c7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_06_7f8f7a12c7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..fbc22c8610a156be8fd37d97db305c8d7d99a227
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_06_7f8f7a12c7.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_07_73caaf3de6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_07_73caaf3de6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..73232b5db352332411f7d31494cc576667129582
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_07_73caaf3de6.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_08_ebf8a2922e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_08_ebf8a2922e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..dc172ff1fe1403a9fdc3d7952db9ca21984ceafa
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_08_ebf8a2922e.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_09_d9af7a9839.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_09_d9af7a9839.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..12421c0320712e1e553aad2e174245962da2dbe0
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_09_d9af7a9839.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_10_03d58130fc.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_10_03d58130fc.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..68860524a0282ef1dbe2f69ddd56718555fc7714
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n060_pubchem_10_03d58130fc.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_01_84aa6de3fb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_01_84aa6de3fb.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..495ac1a83cca7ebbc0909c145935eec84cd3cc6e
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_02_4b0a34a259.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_02_4b0a34a259.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8df2a34ea66a16ef1008e4c69744baf79e2bafa3
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_02_4b0a34a259.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_03_676c8d952b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_03_676c8d952b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0872c3081008aefe68681dec09ea9f777ec7c757
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_03_676c8d952b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_04_98d64fa266.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_04_98d64fa266.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..02536814442af06d880712b7b6fb2b13d03e8e4b
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_05_59809f6e13.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_05_59809f6e13.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..074b1b06462e14f29b2e6f46b3b40919ff623239
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_06_e486ae8275.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_06_e486ae8275.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_07_e238906091.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_07_e238906091.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..81455783ae6511a77934e1c899362dc65a46680f
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_07_e238906091.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_08_b8b2646fd4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_08_b8b2646fd4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c7c2a258dce7558bbdc688e88c771fb5a06bd136
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_08_b8b2646fd4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_09_c0b2b47000.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_09_c0b2b47000.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..5bc7c645f9420af954090c182c1c0efba04fe813
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_09_c0b2b47000.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_10_c54bccf0d9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_10_c54bccf0d9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..331234a26593df3f68ed1b6511b6046cf0ef5891
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n061_pubchem_10_c54bccf0d9.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_01_d327db1ebd.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_01_d327db1ebd.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1ae1befddab582b57b5635c611d3420a49fb86b8
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_01_d327db1ebd.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_02_977dce305a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_02_977dce305a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4e31d2a68c35374152f8b44f88f4d1c4145626a4
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_02_977dce305a.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_03_8b33ccf5e5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_03_8b33ccf5e5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2e817311093e11744adf51148e7f03cefd9c5df8
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new file mode 100644
index 0000000000000000000000000000000000000000..f1058c35ca75e12b29957899e40bf5480abca082
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_05_fcf463af71.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_05_fcf463af71.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..afeda6e821911f39c2a44df408f92d33271919a1
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_06_f46b28b403.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_06_f46b28b403.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..38424bfc82401f1d11d7ea623711249bcaa76d17
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_07_bbeda2ffd7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_07_bbeda2ffd7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6126fad493648757c7782b46eb05cac284b10c16
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_08_f905673b87.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_08_f905673b87.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2a8af73b283bdf31526c622235e021c5d5307a9f
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_09_ec2e495c68.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_09_ec2e495c68.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a6964bd5ca4d3442f6538dcd527a94f07252c1a5
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_10_bbac5274b3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n062_pubchem_10_bbac5274b3.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3b6e211649863a0658e0b8f253046cb16b793eea
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_01_9dfc0adde5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_01_9dfc0adde5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d154d32f1015574efd963d2f5d248e33159a308e
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_02_ed5425e88d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_02_ed5425e88d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b578244b5ea428e43dc944c67a351b78d357caa2
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new file mode 100644
index 0000000000000000000000000000000000000000..416a7b0414a536ace6b025aa1dd661814aaf8995
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_05_8193e317ed.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_05_8193e317ed.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..cc39ebd5984eb94f3b212c4d8dc4a7c97784a3c0
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_06_15efb5a086.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_06_15efb5a086.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b0830c00b21786e7c933048fa5a907160678844e
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_07_f98e88ed7f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_07_f98e88ed7f.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..b9d5a36189d3196e22dbe035505649b6dbb204c5
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new file mode 100644
index 0000000000000000000000000000000000000000..c3abfe90b180a4845ebb6d9faa4ccc7037d21eb4
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_10_c0af059228.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n063_pubchem_10_c0af059228.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..9bec47cbb3dd39c20c470580d5bb4ae9c0aed7eb
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_01_25963e7543.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_01_25963e7543.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..11d84104f445d44e2a3750749286e7866007246f
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_02_8e1c3b976d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_02_8e1c3b976d.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..fcd282baadc8b5dfc1b5f97d8e2751b71c550e28
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_04_bc35220f2d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_04_bc35220f2d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..9c2cac53321ebabf588601813a5ef1a861390c46
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_05_e18e4c3a8c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_05_e18e4c3a8c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4f579287af4c8ab9809839d759337bce7b77ea69
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_05_e18e4c3a8c.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_06_6686f719b5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_06_6686f719b5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3347b931776984bc550b2f8fd474f109746177c5
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_06_6686f719b5.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_07_2af88b5b73.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_07_2af88b5b73.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..9634abb007d0ff5d82bae7879fbeaba0ea43b44a
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_08_6a4df66052.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_08_6a4df66052.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e97db778bbf36263a577faf9ee6c9fc9f9fa6578
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_09_76bc662efb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_09_76bc662efb.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..90c6bd2bf3177a61c6080acd552edf0faec479e7
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_10_f2fe357533.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n064_pubchem_10_f2fe357533.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..106d44e3da7f48fbeafc23f66845ede9fedc1bae
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_01_50d67838cb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_01_50d67838cb.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..32de0ad0133a26da6fac77d7bdcb2d84df91a94a
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new file mode 100644
index 0000000000000000000000000000000000000000..0a42e6015519bc77f5ca1b431dcc76b0937267c0
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_05_11f5ae6a42.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_05_11f5ae6a42.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_06_e49fa69a20.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_06_e49fa69a20.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..57eff700c10b5fee94862d60386acbc5468be137
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_09_8edd775f97.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_09_8edd775f97.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..52cd957b4b0a015cd2bcea472245051d6358b926
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_10_721c55af07.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n065_pubchem_10_721c55af07.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_01_fc1a07c8a8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_01_fc1a07c8a8.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_02_dc6e3e0cc6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_02_dc6e3e0cc6.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_03_cc63b375ab.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_03_cc63b375ab.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_04_39b08d8c99.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_04_39b08d8c99.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_05_59e1012e1d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_05_59e1012e1d.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..115768f4b7bdd6d72aabba5ddd80cf2c2efa52a0
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_08_5cd1924bfd.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_08_5cd1924bfd.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..01577a4dec1c7a82e5243cfb0e841f590fcff606
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_09_fab38fed32.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_09_fab38fed32.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..638d50ff286144ded41cd9aede11fdf01a957e0e
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_10_932dab5d88.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n066_pubchem_10_932dab5d88.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0be81df88ff9fd33db11de50414f0d449faa407a
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_01_91addd9368.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_01_91addd9368.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..33d2dbb18bae4b2429829217271e0ce044e12a06
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_02_64fb5a5ea8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_02_64fb5a5ea8.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..216fdbf5b32557eaf31811de19d4826151f65332
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_03_033e94da9b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_03_033e94da9b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..fd6e745e58ee88763134271579b58626e6051d45
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_04_2b6ad3daaa.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_04_2b6ad3daaa.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..df154bcf0865c56b44cb461e9a0ede77171848ce
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_05_e791324568.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_05_e791324568.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e3253f497737908ebc1f2a92e2c741ef475dac5e
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_06_485d12a071.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_06_485d12a071.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b92fc1d8e01914fa1e0f81ffd65eb7f263cb38dc
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_07_1ea307b0e8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_07_1ea307b0e8.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_08_870f037fd8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_08_870f037fd8.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..31b212cd86a4492de78ade00aeadcc1b3626c4cc
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_08_870f037fd8.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_09_2ec03e32cf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_09_2ec03e32cf.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..9adcd479932be9c1ef4622998eff1e15903173e9
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_10_6b6f01ca22.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n067_pubchem_10_6b6f01ca22.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_01_f3ffabbf5e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_01_f3ffabbf5e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_02_41826df089.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_02_41826df089.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b408f8ddcef853c718a1e1ba30e1cd888ae9c953
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_03_d0ecce60e8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_03_d0ecce60e8.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_07_36ddfd9516.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_07_36ddfd9516.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_08_ba6d0751b6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_08_ba6d0751b6.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_09_4f9b63f2ff.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_09_4f9b63f2ff.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6bf38584a44ec83b09d252d0705beea0cd746b73
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_10_123ea22804.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n068_pubchem_10_123ea22804.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..585c0348f8b5205bd3d888d2509c2c152c708372
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_01_cfe3fe020c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_01_cfe3fe020c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8f1005fab45899d9c8632a9a4cf3f6814bdcbc9d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_02_8a53341b82.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_02_8a53341b82.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..02c840fc62f92e4a5e35f923ce43f75e45a1b723
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_03_e8c29baf7d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_03_e8c29baf7d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..caf23f9b7f282497da632598ae1892e1e837fd63
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_04_70614e05eb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_04_70614e05eb.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..9d3fa1f5f31584babfb13024f41b2c4a7fd2f361
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_05_e93dcd85fe.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_05_e93dcd85fe.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..9fb30ba13237d5f56b66a20266d582b0db98fb57
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_06_7128f9bdc4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_06_7128f9bdc4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..bc422fe7ab85e11d693191039672f92c41a0e6a0
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_07_85996269c6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_07_85996269c6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..142f6d8c518bcd06b791f708e5319b9ee6816d18
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_08_3fc846844a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_08_3fc846844a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b06d2728b7a3cc914b667a8addbe4ea0613cf472
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_09_90c7ae6705.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_09_90c7ae6705.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..cb7435cee5abccad2742f3e1dc179b0124714b69
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_10_99fe3b5bb1.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_10_99fe3b5bb1.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3416464fecb17dc21884c9f32cef2d8f9bd36473
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n069_pubchem_10_99fe3b5bb1.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_01_ac96d11c23.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_01_ac96d11c23.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ae8c290cf370c2f7fa9f176613477705c42f3927
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new file mode 100644
index 0000000000000000000000000000000000000000..1ba9743ce0408bf58f94751fca193ceff1237d8d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_03_a7a81373a3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_03_a7a81373a3.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_04_ac06adb8cc.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_04_ac06adb8cc.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_05_1ed20c265b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_05_1ed20c265b.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_06_e72f20c59f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_06_e72f20c59f.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_07_61279b4946.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_07_61279b4946.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_08_57aaac23c9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_08_57aaac23c9.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_09_b9cca84d1a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_09_b9cca84d1a.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_10_71e12da51a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n070_pubchem_10_71e12da51a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..34552d4a95f10d651e9c52159b429a0ed5ea421d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_01_179a849103.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_01_179a849103.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_02_deaccf8fe1.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_02_deaccf8fe1.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_03_7dfbf6f87f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_03_7dfbf6f87f.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_04_563a7ee7f2.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_04_563a7ee7f2.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_05_d2575a3a2f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_05_d2575a3a2f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1eef9ba20a5683c7d57690928bfd28931895978d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_06_83ac0d03b0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_06_83ac0d03b0.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_07_e815146eef.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_07_e815146eef.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ae8bebdd06b6360efe971a78b556aa169ea831b8
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_08_5bf15eb376.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n071_pubchem_08_5bf15eb376.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_01_48ee2effbc.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_01_48ee2effbc.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_03_4f61ad32bf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_03_4f61ad32bf.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_06_392e14e39b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_06_392e14e39b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_07_f5fa7c6184.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_07_f5fa7c6184.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..cf2cdd261ca5b2e361b40000a6d09040325b2bf5
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_09_0d81ad32cb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_09_0d81ad32cb.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_10_c3e1ae1c40.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n072_pubchem_10_c3e1ae1c40.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_02_4a07a44405.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_02_4a07a44405.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2a77ce53921b9fdf24b263dfcd34210d7020a18b
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_05_171891de43.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_05_171891de43.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_06_3db64a980f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_06_3db64a980f.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_09_c498d32656.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_09_c498d32656.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_10_0909df3b05.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n073_pubchem_10_0909df3b05.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_03_2703a18ad0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_03_2703a18ad0.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_04_8e2609784e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_04_8e2609784e.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_07_c22a17d82a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_07_c22a17d82a.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_08_93aecede64.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_08_93aecede64.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_09_054f683cd9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n074_pubchem_09_054f683cd9.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_01_6f3c1b6f99.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_01_6f3c1b6f99.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_04_5d0d3e90f0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_04_5d0d3e90f0.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_05_e44e4f3f02.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_05_e44e4f3f02.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_06_fad25afd98.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_06_fad25afd98.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_07_5a19b5fe6d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_07_5a19b5fe6d.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_08_f0c0431d38.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_08_f0c0431d38.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..969ea420f5df3793aa4845372acb5f1110513d69
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_09_799c1fb94d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_09_799c1fb94d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c6c01c138e78993d5fd92f83d03b64a8b83fc759
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_10_f3a98bdb34.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n075_pubchem_10_f3a98bdb34.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..911e12bcb32b7bbb260ecd53127e0d4d227d0e23
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_01_d210b4228c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_01_d210b4228c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..98875e9efdde5d1aab64e8589879a14241c7760c
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new file mode 100644
index 0000000000000000000000000000000000000000..2d9833508433f78686780d96874ec553e402e49e
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_03_8cff5d42ef.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_03_8cff5d42ef.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_05_2a472fa8c4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_05_2a472fa8c4.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_05_61c0ace2f6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_05_61c0ace2f6.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_07_1442b32730.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_07_1442b32730.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_08_d476663f41.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_08_d476663f41.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_09_2b9bd7a713.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n076_pubchem_09_2b9bd7a713.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..09f5531e8aeb18068f66162a412e669bd199616d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_01_0096aa917e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_01_0096aa917e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_02_5e6df97273.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_02_5e6df97273.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_03_3f3acabb78.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_03_3f3acabb78.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_06_b4255523dc.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_06_b4255523dc.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_07_eadcb8ea09.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_07_eadcb8ea09.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_09_9f0770aea6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_09_9f0770aea6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..5f16b426887cc8ab334bbc69e30815e331fd6e66
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_10_1bfc090992.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n077_pubchem_10_1bfc090992.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..649f89e1223a521fe858a2ecd190e854877330c5
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n078_pubchem_03_9e59660869.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n078_pubchem_03_9e59660869.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n078_pubchem_08_b866a01c50.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n078_pubchem_08_b866a01c50.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n078_pubchem_09_764b83a85f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n078_pubchem_09_764b83a85f.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_02_be5d1f8ffc.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_02_be5d1f8ffc.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_03_8754542cd0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_03_8754542cd0.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_05_2d2a580b32.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_05_2d2a580b32.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_06_7ae7dff65e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_06_7ae7dff65e.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_09_f16c92e7e9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_09_f16c92e7e9.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_10_091b9b6318.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n079_pubchem_10_091b9b6318.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_01_c024c64737.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_01_c024c64737.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_03_5fb942f46c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_03_5fb942f46c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..605174141f054cf23ce9a8c147b85bbf37ef82dc
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_04_9dd11be37a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_04_9dd11be37a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..60f262e4aaf21640890066070899fdc44c5785bd
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new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..f2153f215b3b2a9fa4d5872ed2a15cf5375209a9
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_08_6ec0ff5c2c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_08_6ec0ff5c2c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_09_3a76e3f5e3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n080_pubchem_09_3a76e3f5e3.xyz
new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_01_07fc91b58f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_01_07fc91b58f.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_02_68883e8390.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_02_68883e8390.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..fa03ff2c8b80dd4608d0c9e246d0ee5b393c4a68
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_04_c155b1e7af.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_04_c155b1e7af.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_05_fd68ae63e4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_05_fd68ae63e4.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_06_8dd999607d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_06_8dd999607d.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_09_4df2475f9b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n081_pubchem_09_4df2475f9b.xyz
new file mode 100644
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new file mode 100644
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_02_fa35f61d12.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_02_fa35f61d12.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1b2a97afad440d6e3777a023a48026465ee8b279
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_03_584830c489.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_03_584830c489.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..217ea333866270dacc860e67ddc483b659d6cab6
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_04_4b9ab79d10.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_04_4b9ab79d10.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_05_2f79412de1.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_05_2f79412de1.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_06_faaa840cdb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_06_faaa840cdb.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..cac4260b2f64fd1773bcf93b269060cd94655241
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_07_e28d92233f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_07_e28d92233f.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_08_1dd90080c5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_08_1dd90080c5.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_09_fa8ea4026b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_09_fa8ea4026b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c456dbac9ca8b8a88590ccf031e74b83f5a30e88
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_10_f9fc781952.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n082_pubchem_10_f9fc781952.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_01_c8463dccc6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_01_c8463dccc6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a5ce8f573f9bce103e16ba2b5a9ecd56bc1ec81d
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_03_1b8fa1d8e7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_03_1b8fa1d8e7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..94e4c632cf861cc873afbef3df1718a5ae91b54a
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_04_db0bbbeeb0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_04_db0bbbeeb0.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c3f60b9528c1249ac4e386d5e802002a3a6eea65
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_05_fac385c0ac.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_05_fac385c0ac.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..405dc20e5fcad2d6cfc6617adfa143829fc282eb
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_07_5d31ae00cf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_07_5d31ae00cf.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_08_5372200843.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_08_5372200843.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_09_a0aec4fde8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_09_a0aec4fde8.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_10_6836cd8f3d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n083_pubchem_10_6836cd8f3d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ae23fa93614216661d41345765ad6d55aec292c1
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_01_02dc8c51ca.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_01_02dc8c51ca.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_03_123c7b3245.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_03_123c7b3245.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c29c7c5155a28fa048f36c579e2aedfcea3d62f9
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_04_11d31b552f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_04_11d31b552f.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_05_c2d4a0e6f7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_05_c2d4a0e6f7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..73fbc411c885db9d1437283d0e789de92839fb76
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_05_f7a71d38d6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_05_f7a71d38d6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..71a97d840b648b9ee029aba647d9d7f11faa4604
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_06_3ba774bb14.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_06_3ba774bb14.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..846c51a800378f7dd9a40874712b655061fadfa3
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new file mode 100644
index 0000000000000000000000000000000000000000..ef3e5bcb0f6bd9be836b204fe27707aa236822a9
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_08_300b4c73be.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_08_300b4c73be.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b8ecb46cf9381cb2cc22aea473de6c8bbe3ed85c
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_09_858668bd1a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_09_858668bd1a.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_10_be658f7d8b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n084_pubchem_10_be658f7d8b.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..4bfa0f146e40efa5828afacb81cd4d7f5bd4a630
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_02_a11157c0ba.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_02_a11157c0ba.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_03_445bda57c0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_03_445bda57c0.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_04_8abb972200.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_04_8abb972200.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_05_bc2102717e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_05_bc2102717e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e9c4bd5c84e06a8cf600dbff08425244ecbec8f4
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_06_22b0467931.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_06_22b0467931.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b89d89d04a560052241e537a9963a320ea10c020
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_06_22b0467931.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_07_dd340d2396.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_07_dd340d2396.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7607bc5afe8de56f3fa1607a050253cde37a3d2f
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_07_dd340d2396.xyz
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_09_bd7c3a4ac8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_09_bd7c3a4ac8.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..56b0910975e177590bcb6097fe7fecaadc839ad3
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_10_df2a61b6c8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n085_pubchem_10_df2a61b6c8.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_01_1a35118118.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_01_1a35118118.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..61a4f13b27bb66465b963a79be02637fa5e4d286
--- /dev/null
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_03_73597a07e5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_03_73597a07e5.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_04_da4d142001.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_04_da4d142001.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_05_676587fce8.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_05_676587fce8.xyz
new file mode 100644
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new file mode 100644
index 0000000000000000000000000000000000000000..c87c7cbee994fe0750281eb334fd2b466af73add
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_07_da3121ab0c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_07_da3121ab0c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_08_64fec6324e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_08_64fec6324e.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_09_5a67e55d22.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_09_5a67e55d22.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_10_ebdc4d1c8c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n086_pubchem_10_ebdc4d1c8c.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_03_32a9803cd6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_03_32a9803cd6.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_04_6cefdadf25.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_04_6cefdadf25.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_04_ecbc48b43d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_04_ecbc48b43d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e51c4ba9da889b01cf8a0179ff8c27fb4bfe7261
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_05_0c34937d94.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_05_0c34937d94.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_05_a49fe27920.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_05_a49fe27920.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ad1e4c13714afbebf90b040d84a9a7673509016b
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_06_241aab30b4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_06_241aab30b4.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_07_c0d549447b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_07_c0d549447b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8256cedcf5f3635407c412578335bfba0ac270dd
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_08_07b0144f83.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_08_07b0144f83.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4822701fca5464becf8ec16ce0d3c170736a0f2d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_09_7f6a8b180b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_09_7f6a8b180b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..25ee66f49c9f9d3950326bd8429a8604edb083d2
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_10_f3a950d446.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_10_f3a950d446.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d7dc2be754bd9aa16d6f5a77fe6d5bbdf6fbc887
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n087_pubchem_10_f3a950d446.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_01_5b87af9884.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_01_5b87af9884.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3948b9afd19303d414e32526d5759131084f4839
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_02_b9e32a7ab4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_02_b9e32a7ab4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a776c7bf90564408a4300832485792fb22c96aef
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_02_b9e32a7ab4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_03_3d94df0d85.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_03_3d94df0d85.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b17fa78531cb755bc15113dce0fb3b2300793a17
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_03_3d94df0d85.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_04_e95fb96e6f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_04_e95fb96e6f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2dfef97e9d546fd2deb4c580c0bf4b8503f9e0cd
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_05_d8e57e9ae5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_05_d8e57e9ae5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d50e5cfdae650fa0b057618b07d42c7d50026387
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_06_ea2f993dab.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_06_ea2f993dab.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..34080778b856f15a8d0129c51353281ea6153870
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_07_5d1b2a3184.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_07_5d1b2a3184.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2efa5d216a94b9b170bd7d138314f5734cba78e5
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_08_193d6cd354.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_08_193d6cd354.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..45a90cad9a2497ca2789f6d6960d981e39e787d2
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_09_c359ad5caf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_09_c359ad5caf.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3f06fdc0ecc50db42ffb7d6d2f14b054f248e53a
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_09_c359ad5caf.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_10_b01b2f2fcf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n088_pubchem_10_b01b2f2fcf.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..50c15ee8688f759501ba5309dd341e0be9436ba5
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_01_40cec481cf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_01_40cec481cf.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..40b2cc56bb8e2f4157c098f2ba35210d6d609b12
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_02_dc54f03d18.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_02_dc54f03d18.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..37a01ccb95d5012c8730311972dda3d05a13b1df
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_03_8912996eb4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_03_8912996eb4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e1969dde28f64a90b34dc60987f20bfcc239792c
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_03_8912996eb4.xyz
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_05_99f1ea52c1.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_05_99f1ea52c1.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e9403a44b82dd965fdc791b9175ff079f42c6611
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_06_49d91b266b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_06_49d91b266b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..21792b02c33f0be19c25062d1768d49b76d3e818
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_07_fab9f73c05.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_07_fab9f73c05.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b2c426ac2656bd7233d086a84d1f736e44ed6889
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_07_fab9f73c05.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_08_0b208dc9c5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_08_0b208dc9c5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0f7d70eae6eb50d499a9db30b5b941b4c6006a72
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_09_796d88fef0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_09_796d88fef0.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c75720ebefbb50855c0ba02d142dfd6ed7685ace
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_10_63021cdbba.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n089_pubchem_10_63021cdbba.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a7d87401b0c045cf0a5f7cfb6d2d76e33a7c5cc2
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_01_9a28007d8a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_01_9a28007d8a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8503b7c8b0883311774a00dd111c060c5956effb
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_01_9a28007d8a.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_02_eeeb46a51f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_02_eeeb46a51f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0af136515257e8fa9509bb08cc1a8374bd6fe174
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_04_c00752d492.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_04_c00752d492.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..5a36ca3beab20bc53771e0dda24554bb45f6f7ba
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_05_3ac5c7788c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_05_3ac5c7788c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..21045c13279317accb724f12dbd5b51b510045b6
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_05_3ac5c7788c.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_05_4ed4bbe11d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_05_4ed4bbe11d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..5ec1e3f4f34f27a716a6b1a7304ead5d6b92c8b0
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_05_4ed4bbe11d.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_06_393f07dd39.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_06_393f07dd39.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..723547e347702c633f7571097a317fcfe33b9efc
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_06_393f07dd39.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_07_614f748779.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_07_614f748779.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4b481165da43a23e624853628132bf3e06254e21
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_07_614f748779.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_08_3a8d6fb0d9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_08_3a8d6fb0d9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a7f5de0f56d98949a1169d4b0f297357bf05409a
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_08_3a8d6fb0d9.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_09_4441dd45c3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_09_4441dd45c3.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..37097b8abff4182cb3e311d9f337172b393a80b4
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_09_4441dd45c3.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_10_0a136aed35.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_10_0a136aed35.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6ae352f495ab5dc9166509567519bc108aecd04d
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n090_pubchem_10_0a136aed35.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_01_e7029a5f3b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_01_e7029a5f3b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2f5bb44d8b4944e38aa604c2993dd5dba840dc38
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_01_e7029a5f3b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_02_996d73e50a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_02_996d73e50a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..69cebb35025747d107080b92244a474e00ec6b0c
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_02_996d73e50a.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_03_b92fdc1a98.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_03_b92fdc1a98.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..aee7e7eabc7ad55582779c08f24caffa92c3cbd4
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_03_b92fdc1a98.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_04_508635aaa4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_04_508635aaa4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..765b9245943bea6bd2620c7d6f8903a2cd9258cf
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_04_508635aaa4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_05_592df377cb.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_05_592df377cb.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..99d555ffb201c4db19f64c91875e3475934d218e
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_05_592df377cb.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_06_7b9272016c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_06_7b9272016c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d01a880f2bff0d2f407944577054a9fd8156fabf
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_06_7b9272016c.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_07_6401f025d3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_07_6401f025d3.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..acfe011b5e3caae7be2d07d8b532adebf10917fe
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_07_6401f025d3.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_08_c58dc70284.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_08_c58dc70284.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..34e04fa3a312fdcf669801a1a5ef5217ecb9bfe7
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_08_c58dc70284.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_09_e77d16fae6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_09_e77d16fae6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..499cc1a1f472de02ee0d91964744464db8f82644
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_09_e77d16fae6.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_10_bc654ad594.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n091_pubchem_10_bc654ad594.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7d35702ca513226127f420ae1282f3224c1c6f89
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_01_910f368488.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_01_910f368488.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..13f953910e8296ec6a160c5af74ba14621bf90e8
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_01_910f368488.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_02_7d13c14f9f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_02_7d13c14f9f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..c5dfafe92df5d0dfae3c75608da89c01dd6f8d74
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_03_fa81db9481.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_03_fa81db9481.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..5f8812f896c82ac4d75054890f7af0479fea9234
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_04_ce390d8807.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_04_ce390d8807.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e14507a7ac09d0f052a9494e88f58cc0161b1efb
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_04_ce390d8807.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_05_95596cd2ca.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_05_95596cd2ca.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ae07cb25d2e4271e1476589f31702f738d971718
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_05_95596cd2ca.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_06_77bce39497.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_06_77bce39497.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..112cc13a3c5cde340bb1c2f9b40027e9c4b4b3f3
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_07_f078a46f84.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_07_f078a46f84.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..46d31ffdf5a8c77bdd55fac71d4591df8892e56d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_08_ca129e4143.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_08_ca129e4143.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4c867522a9102e6362a1ee309eec35c6d2898207
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_08_ca129e4143.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_09_83df52ffb0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_09_83df52ffb0.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a2ae5faa3fe948f3684c7a57be4befd5c8ed9364
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_10_de55127caa.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n092_pubchem_10_de55127caa.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7d3d45f5ebcf5827cad2aefeebb595cc84d87188
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_02_b334b9b476.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_02_b334b9b476.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4a7497811d238c614ecbdbd5427d5dd12d75a326
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_04_8adf3f3681.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_04_8adf3f3681.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..48913e4810d8a38c54d04723428d9d376f87fef0
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_04_8adf3f3681.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_04_a621c65051.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_04_a621c65051.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..23c711a9eba7f556a042f1f7358ffdea4bc4984c
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_05_0ca208e89b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_05_0ca208e89b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..35057a57179353c9ea9ea53dccc71cb449b5905a
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_05_0ca208e89b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_05_7cfbfa047a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_05_7cfbfa047a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4ea011563e65962247ba46b2e287df09cf09d6a6
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_05_7cfbfa047a.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_06_3af3769116.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_06_3af3769116.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..aa772e3a25564cde5486b51805ea085a1d52677d
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_06_3af3769116.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_07_52883021f7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_07_52883021f7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4e66f948e93001cc2eb3a772dc053fd27be6ee2f
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_08_465a69a4e3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_08_465a69a4e3.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8b43c6ebc04c501adb0cda19578ee0e1e755d3bb
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_09_2e9ca15e9b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_09_2e9ca15e9b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..93a57e3fbbf775e352affd109b250aedb307595b
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_09_2e9ca15e9b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_10_8a06ab8bb7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n093_pubchem_10_8a06ab8bb7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..916252d4a6f91c9cbe5276ad6994646389547c41
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_01_6ad409f81a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_01_6ad409f81a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..cd8987acbd140702b2a248318c50a0d8a35e3381
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_02_840479eb40.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_02_840479eb40.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..32eeb128353e1a70bd5c98231d78b4af34e06628
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_02_840479eb40.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_03_d0da68bf22.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_03_d0da68bf22.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..274042c53dd9e9d614cb74e5d30c05e5d7f36de6
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_04_8f1a85008a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_04_8f1a85008a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6b11d675344309434cc51661633d42cdc2cfb98c
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_05_2b1feaef67.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_05_2b1feaef67.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_06_ab45b0c852.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_06_ab45b0c852.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..732517d698fbe04c56529d33acfa1c3743da98e0
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_07_854dd9069f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_07_854dd9069f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..65a0ca83d590eccc55e7a65a6866ba648acd41dc
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_08_e53dc49600.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_08_e53dc49600.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4adde9a6e7cce68ccec0128c6256c00fcd321a0c
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_09_6a47481372.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_09_6a47481372.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3546420e9b770d98db727c54c53f0adebceed02b
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_09_6a47481372.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_10_dfcb172989.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n094_pubchem_10_dfcb172989.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..6e955d2ec4076a9f25b7a5668bf82476107ce593
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_01_702ba30f16.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_01_702ba30f16.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d804c00893314e6546925c340981750aeaa78613
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_02_3b34e9d3d6.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_02_3b34e9d3d6.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d962a1980965721b022aa1032ff01560e14bdbfe
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_02_3b34e9d3d6.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_03_3da2812c5a.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_03_3da2812c5a.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..77ea7c21eacc32a1d65d43afc7b5cef2f353359d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_04_33eae563ff.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_04_33eae563ff.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..49b6f823ed813c37b777a55ace59c891de5b8c6d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_05_f2ef752a23.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_05_f2ef752a23.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..670d77a5e64f9033bb247f9bd9133c5d05220cb1
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new file mode 100644
index 0000000000000000000000000000000000000000..44cdbff84c31fd2a31e1ea3226fd64ba1839b567
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_07_3358843ed7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_07_3358843ed7.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_08_b8d6075f13.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_08_b8d6075f13.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..03b197f4cf342ef4a28680d3654bf21162bbee79
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_09_07c7bd5458.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_09_07c7bd5458.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ebb876036a905da8cb1259e309ad44f2fd9a13f8
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_09_07c7bd5458.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_10_d2cc2f591c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_10_d2cc2f591c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..fad0ad99d5c088739f008cc2b20cf49eed58fa27
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n095_pubchem_10_d2cc2f591c.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_03_b6a0adc102.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_03_b6a0adc102.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..b986d7a5016f1829c966811517fbbf0fa58c2009
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_03_b6a0adc102.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_04_ceb28a251d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_04_ceb28a251d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..4d585abb297019b3432e273dddc8d2949ae14342
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_04_ceb28a251d.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_05_3de9bfc1d9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_05_3de9bfc1d9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..3dab20b962c3965d3f3dad4a362fb17db661b1b9
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_05_ec565af0e5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_05_ec565af0e5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7f499fdb3bc36ae40f0f5e13bd3068896f07f691
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_06_eb8d4b2d64.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_06_eb8d4b2d64.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..97f991ca1f8b4a8fe1f6379413f52cf9fa9f8522
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_07_58f1519121.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_07_58f1519121.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d38d9632af3d5069dab04b3ad9bc9e06a8738eec
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_08_00949963d4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_08_00949963d4.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_09_ba55aaa2a9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_09_ba55aaa2a9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2a939cc5c64bb490ef0c53d75dd645bbfe7ce76c
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_10_9cd35b682f.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n096_pubchem_10_9cd35b682f.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..94257b681d3e399f531d6c37d9cdd257bd14a746
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_01_2c333b82a2.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_01_2c333b82a2.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_02_56701a5139.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_02_56701a5139.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ebfc635bc189443453dd9a4bc406500e89537177
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_04_b350a4372e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_04_b350a4372e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..31f43d13203079dbbf439b8d030bf31619840f8b
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_05_453e88dcdf.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_05_453e88dcdf.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1e6440c7ce17c0f4dae3a8f7b04544357ec2689e
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_05_b84f264fb5.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_05_b84f264fb5.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..04b8a2367d448e33c8242ec7924f40c70744d7a6
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_06_702315b0e4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_06_702315b0e4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7ba24eb0f9884812c8484c0195afe2f9b99aa47e
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_06_702315b0e4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_07_1b8dd9af47.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_07_1b8dd9af47.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..581ed112a163b8f990461468195a1cc25dc0be1d
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_08_71fcaa3c6e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_08_71fcaa3c6e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..50335a47f5ea054de824fa6b64009b178febedb8
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_09_5b8a9036aa.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_09_5b8a9036aa.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1ff8116a14e691de8e1f7af2044f9723504f0ba4
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_09_5b8a9036aa.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_10_e8ecd07941.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n097_pubchem_10_e8ecd07941.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..d623d83dc2afd86a709a37c4fa0f6f7be1f1bb55
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_01_382c0011f3.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_01_382c0011f3.xyz
new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_02_5ec1bd2940.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_02_5ec1bd2940.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..effc548e4f2ef6f69ba62957c3b41587bb32349d
--- /dev/null
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new file mode 100644
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_04_a3bfb7c5a9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_04_a3bfb7c5a9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..dce0d1437b2e849fe79911e9f7f97542ba118d7d
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_05_77b8e90c0d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_05_77b8e90c0d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f9a61786194ec594c476553f48eef4ec6e679aa9
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_05_77b8e90c0d.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_06_03b2a13f1d.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_06_03b2a13f1d.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7a1dc8252c7c1abbe3dfd35cf1199a992bc602c2
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_06_03b2a13f1d.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_07_4d160e80ab.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_07_4d160e80ab.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1fba112113e4fb77ea4694d27778c60e45d022ab
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_07_4d160e80ab.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_08_a20a27d288.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_08_a20a27d288.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f2bb94032697ca3d4e77cd348c77f0893b5bdd60
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_08_a20a27d288.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_09_d3baa595e9.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_09_d3baa595e9.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a36866bd2ab03b73e7c171f92de5fe8a6b66419f
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_09_d3baa595e9.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_10_83821b4cb0.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_10_83821b4cb0.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..04edad06ca42329bd65194088129042fb1e083c0
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n098_pubchem_10_83821b4cb0.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_02_5bb099269b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_02_5bb099269b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..351456346b30f1fd78e799c0115f878d81823c66
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_02_5bb099269b.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_03_d91796900e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_03_d91796900e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8532ab78955d5701e2939262b21d3a62fda654fd
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_03_d91796900e.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_04_73f235573c.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_04_73f235573c.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..1fd588a8e87e407ac0076835684f411ae1152533
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_05_7ef3dd928e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_05_7ef3dd928e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0d4edd9dcac1812330805a63e274a4b45a221123
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_05_89bde37e62.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_05_89bde37e62.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..142941c2725678000d2b8a2de2f92b1d400c24ce
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_06_59d5cc2c25.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_06_59d5cc2c25.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..8c43c2060f7818bb128b5d175f816d612e00989c
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_07_95b01a4792.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_07_95b01a4792.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2e82a6125ff68a47581444ed06080b0fd6d47249
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_08_58190e47f7.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_08_58190e47f7.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..14340d3296d61fc9b8f56cdbc3c66e2341342758
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_09_ab603c7740.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_09_ab603c7740.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0c6c8597a3c4e3a424d6ad4cbf11aafc11a97a93
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_10_c2ce9060fa.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_10_c2ce9060fa.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..2a656e21f402b50beef1a223080649d3575f58f2
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n099_pubchem_10_c2ce9060fa.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_01_2067bbedd4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_01_2067bbedd4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..dc2d7f106b36b0a59f01729091cc2825407e55df
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_01_2067bbedd4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_02_6ad2f7fce4.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_02_6ad2f7fce4.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f809237274eb8c9010736dd4f381c1fb3cc30b9f
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_02_6ad2f7fce4.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_03_76d819f675.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_03_76d819f675.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..f29895c9ec27ee283f2f75f843b8bed31bfb9330
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_04_0739d00b09.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_04_0739d00b09.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..42981f192784647df82feab16ac6c3ee456bd4f7
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_05_8650eabf35.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_05_8650eabf35.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..0881db5166f7175a0a86b358411b465c0cb438b6
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_06_bbd886bf40.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_06_bbd886bf40.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..677e2564fd83cf4c0efbac3fae23dfa2dd61423c
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_06_bbd886bf40.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_07_e85d566d14.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_07_e85d566d14.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..ea8b8d8724e01d48aaf64111ba2f9a38f9be3cec
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+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_07_e85d566d14.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_08_d3c7f8679b.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_08_d3c7f8679b.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..7a6cb0a150f08332cdbc579c9f83ae86ef972580
--- /dev/null
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_09_7303ce3b85.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_09_7303ce3b85.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..5cc2107aba3eac71a135c41d212cab5db21400f5
--- /dev/null
+++ b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_09_7303ce3b85.xyz
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diff --git a/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_10_5cf3dc516e.xyz b/orca_wb97x_631gd_chno_30_100/xyz/chno_xyz__n100_pubchem_10_5cf3dc516e.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..cc4fe106feb836a2a8193342184d6881d65e017e
--- /dev/null
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