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H4O2
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H2O
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data/MD/3083/MD_8500581738701534499353083.json
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{"basis-set": "aug-cc-pVTZ + aug-cc-pVQZ extrapolation", "hash": "8500581738701534499353083890683137459319647218071856178275580992806919717509161891701302286988434384904410787276080090415383596912824369182881629374382239", "id": "MD_8500581738701534499353083"}
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DS_p9qjlc9l8scx_0
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CCSD(T)/CBS
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H2O
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| 0
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data/MD/3083/MD_8500581738701534499353083.json
| null | null | null |
{"basis-set": "aug-cc-pVTZ + aug-cc-pVQZ extrapolation", "hash": "8500581738701534499353083890683137459319647218071856178275580992806919717509161891701302286988434384904410787276080090415383596912824369182881629374382239", "id": "MD_8500581738701534499353083"}
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DS_p9qjlc9l8scx_0
| 1
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Molpro
|
CCSD(T)/CBS
| -0.111871
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H4O2
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H2O
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A2B
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[
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[
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data/MD/3083/MD_8500581738701534499353083.json
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{"basis-set": "aug-cc-pVTZ + aug-cc-pVQZ extrapolation", "hash": "8500581738701534499353083890683137459319647218071856178275580992806919717509161891701302286988434384904410787276080090415383596912824369182881629374382239", "id": "MD_8500581738701534499353083"}
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PO_1002542883925439923461759
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| 2025-04-16T21:17:32
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DS_p9qjlc9l8scx_0
| 1
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Molpro
|
CCSD(T)/CBS
| 0.315938
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H4O2
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H2O
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A2B
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[
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[
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0
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[
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data/MD/3083/MD_8500581738701534499353083.json
| null | null | null |
{"basis-set": "aug-cc-pVTZ + aug-cc-pVQZ extrapolation", "hash": "8500581738701534499353083890683137459319647218071856178275580992806919717509161891701302286988434384904410787276080090415383596912824369182881629374382239", "id": "MD_8500581738701534499353083"}
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PO_1002648841282751325897463
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| 2025-04-16T20:27:55
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DS_p9qjlc9l8scx_0
| 1
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Molpro
|
CCSD(T)/CBS
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[
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H4O2
|
H2O
|
A2B
|
[
"H",
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[
0.6666666666666666,
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[
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1,
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1,
8,
8
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[
0,
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[
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data/MD/3083/MD_8500581738701534499353083.json
| null | null | null |
{"basis-set": "aug-cc-pVTZ + aug-cc-pVQZ extrapolation", "hash": "8500581738701534499353083890683137459319647218071856178275580992806919717509161891701302286988434384904410787276080090415383596912824369182881629374382239", "id": "MD_8500581738701534499353083"}
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DS_p9qjlc9l8scx_0
| 1
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Molpro
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CCSD(T)/CBS
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H4O2
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H2O
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A2B
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[
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data/MD/3083/MD_8500581738701534499353083.json
| null | null | null |
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