# systems

unique_id: 7cbdee8b9d9346b71929903f2fd4f973
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "C5H8", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 368279.61321687698, "bsse_corrected": 0.0}


unique_id: 21bed0d6d16109d46363d83acae7055a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8582.1541171073914, "bsse_corrected": 0.0}


unique_id: 9e780c8842c939edde368fd38bd70f0d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "cyclobutane", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 31663.375544786453, "bsse_corrected": 0.0}


unique_id: e8d9bb96b2401222dc04b11c6d32fffa
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 76948.39497590065, "bsse_corrected": 0.0}


unique_id: da736d4a37c947e5abaa4a9b29617741
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 2084.9415419101715, "bsse_corrected": 0.0}


unique_id: 75da7078cbf689ba8503baf4b9561eb8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 13077.593339204788, "bsse_corrected": 0.0}


unique_id: 2cbb80fd5c1859b2a5db48aede74bc16
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 15031.867667913437, "bsse_corrected": 0.0}


unique_id: 737bff32a8d39e6efae20d99a9955318
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "trans-butane", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 770989.62887001038, "bsse_corrected": 0.0}


unique_id: 59ddc5f0c9d9d8141dd7e520a0f6e88c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "HCOOCH3", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 196450.13791108131, "bsse_corrected": 0.0}


unique_id: eac34947bbc712565c38fd10d1a99d43
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 2559.0486168861389, "bsse_corrected": 0.0}


unique_id: efaf14bc26a05d6d54eb7e436f71d6d2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 15285.999524116516, "bsse_corrected": 0.0}


unique_id: 561611b39d3a783e69e1868178120164
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 17950.244767904282, "bsse_corrected": 0.0}


unique_id: d412d3c10777e13544e7eb5cef71a9f4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 5884.2544960975647, "bsse_corrected": 0.0}


unique_id: e43bbc18a26ecb70a82434d0568892e4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 29319.543576955795, "bsse_corrected": 0.0}


unique_id: 1d56e335ac46c8dde714f324d2c8723b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 6095.0482230186462, "bsse_corrected": 0.0}


unique_id: 4d6881be7d6f89768a425a21f5dee066
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 91326.915133953094, "bsse_corrected": 0.0}


unique_id: e4ee14b031e29a9f7c0cf22af70a44d4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 5211.7577941417694, "bsse_corrected": 0.0}


unique_id: d49fad81529bd8a99fd93bc35bbeade8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 52628.186711072922, "bsse_corrected": 0.0}


unique_id: c17fe14a2400ce4d9ac0b1570c88fbff
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 11065.151517152786, "bsse_corrected": 0.0}


unique_id: c58bd72e7b768400073160ba5a70e2fe
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 359228.65976691246, "bsse_corrected": 0.0}


unique_id: 2889e1d53d880093946f76bf850dd36f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 10988.87609910965, "bsse_corrected": 0.0}


unique_id: 2d36c62e9f901180b98fe9aa0e5c6aa7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 303708.90470600128, "bsse_corrected": 0.0}


unique_id: db4a58b71900b44a9bd3821a7dfae97c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 6526.430920124054, "bsse_corrected": 0.0}


unique_id: a849ec4bc0324dc8ed6fa39025eaf1be
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "isobutane", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 898475.08028197289, "bsse_corrected": 0.0}


unique_id: 24f646a1151b8181b6aa25c2735c4bf7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 21812.650295972824, "bsse_corrected": 0.0}


unique_id: 71cd9516287b7f2dcac05c463adf724b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 52034.129944086075, "bsse_corrected": 0.0}


unique_id: 19b9d326e15830366e1ddb49d4d75482
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 11871.357599973679, "bsse_corrected": 0.0}


unique_id: de808d93326b862b6cd8cd2609d37fd5
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "cyclobutane", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 536769.18746304512, "bsse_corrected": 0.0}


unique_id: 7015169649fc57c4f6fb014323aa6e8c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 198168.2312040329, "bsse_corrected": 0.0}


unique_id: b7f09ea8bcc1faa3cc3efa14e87e39cb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 10214.413902044296, "bsse_corrected": 0.0}


unique_id: 830448b3b492d4b9f4106234b8f58698
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "isobutene", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 32139.515744924545, "bsse_corrected": 0.0}


unique_id: 268796a4f42b3aa32c483d305b307063
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 164149.47543811798, "bsse_corrected": 0.0}


unique_id: c7c9d8f7351a1108e55a248298f1fc09
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 3936.7383210659027, "bsse_corrected": 0.0}


unique_id: 18ea546e909eb4f70ab89e3ad3844230
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 47177.196751117706, "bsse_corrected": 0.0}


unique_id: 154a98899c8775a472fd9c58861daf18
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8796.2718660831451, "bsse_corrected": 0.0}


unique_id: 248fdc69db682d496d539f1c8e8a73b8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 141796.9259929657, "bsse_corrected": 0.0}


unique_id: 1d9fe3d02bee6bef7c5fbea7ed8b74d4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 4099.0497760772705, "bsse_corrected": 0.0}


unique_id: b82f22206ade2f5e97eb8831be34e4fc
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 49162.693758010864, "bsse_corrected": 0.0}


unique_id: 642fea43f73a4a7729ec8a9f9569e009
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8223.2431218624115, "bsse_corrected": 0.0}


unique_id: 75ad4539599eb7c717fb343d723f5467
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 172347.5124309063, "bsse_corrected": 0.0}


unique_id: 7eea1e5df9be05bd3337dad9bd91a1f2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 19271.403921842575, "bsse_corrected": 0.0}


unique_id: 4a31226d41da389bc5c0a0c666567403
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 122506.8800470829, "bsse_corrected": 0.0}


unique_id: 70cc70a661a7baaf7601c823438d4ad8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 11599.398360967636, "bsse_corrected": 0.0}


unique_id: 432006edb508ee300727c445056fefd6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 173126.66568017006, "bsse_corrected": 0.0}


unique_id: 59c5717b144efe8d9921fc423a184da1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8296.1464848518372, "bsse_corrected": 0.0}


unique_id: 4d796d95fc5e0a85d8b1c516583acaa7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 433725.7321369648, "bsse_corrected": 0.0}


unique_id: 7ef9c40ba20e2e5f2eb25856f869a3c6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 9158.941260099411, "bsse_corrected": 0.0}


unique_id: 88c606cfbb56d4ce30b408c162b8058c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 162061.53994011879, "bsse_corrected": 0.0}


unique_id: 56bcb9fe73f2c2be90735161b21b338e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 14222 characters]

key_value_pairs:
  {"name": "isobutene", "basis": "aug-cc-pv5z/aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "project": "g2", "time": 384024.05937409401, "bsse_corrected": 0.0}


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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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unique_id: f7b711cc33ba0cbf3379cfa131ada6f5
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unique_id: 3e14b23e28699f3db172231b9d3ff033
username: dulak
calculator: nwchem
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[cell repeats an earlier one in this file: 6159 characters]

key_value_pairs:
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unique_id: 370819abfb34d56589e45e9f5319a107
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calculator: nwchem
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[cell repeats an earlier one in this file: 6157 characters]

key_value_pairs:
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unique_id: a80a12c1ffe1eb1a07ff31b256bc1c74
username: dulak
calculator: nwchem
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key_value_pairs:
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