# systems

unique_id: ba6017cf417c35aa39fa5c6fcad467e8
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CF3CN", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 16e23b1863f6b80bd8acfc28ae26679f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
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key_value_pairs:
  {"name": "C2Cl4_bq2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8996.4272880554199, "bsse_corrected": 1.0}


unique_id: f5bc89ae9c14a95736472c0ad200e39e
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CF3CN_bq0", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 6f81f520581e0d116994e7d190ba580b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27507 characters]

key_value_pairs:
  {"name": "C2Cl4_bq3", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8999.7042458057404, "bsse_corrected": 1.0}


unique_id: fd381d2f3ffbf8f65e881482281ddaf0
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CF3CN_bq1", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 6211b6de55bf837e88540bc9ff4f99b5
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27507 characters]

key_value_pairs:
  {"name": "C2Cl4_bq4", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8992.9254338741302, "bsse_corrected": 1.0}


unique_id: ed427aeaff00d64a98010ebc5ee6542a
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CF3CN_bq2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 58d8b5d334e7959016cc4a9a6d661b96
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27507 characters]

key_value_pairs:
  {"name": "C2Cl4_bq5", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 8997.5535190105438, "bsse_corrected": 1.0}


unique_id: 4a6700004d1de6c12ff6907112805cc7
username: dulak
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unique_id: 82cb5307657dbd5430ee2f89c7196e4e
username: dulak
data: null
key_value_pairs:
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unique_id: 739bf57974083c00df8757ffb7858152
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
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unique_id: da9386648e6527c07d0e5421391a245e
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "C3H4_C3v_bq5", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 11b7adcf720a2a16e5d2e67aea5232a2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "C3H4_C3v_bq1", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 3955.7886929512024, "bsse_corrected": 1.0}


unique_id: 4c1c7129ca65811653498a868c639d2f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "C3H4_C3v_bq3", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 2118.8511650562286, "bsse_corrected": 1.0}


unique_id: b8f4c229009909765f0d7c866ec352c9
username: dulak
data: null
key_value_pairs:
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unique_id: d8faadd2fa74ffa6aa544872c292db23
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "C3H4_C3v_bq4", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 2167.5332028865814, "bsse_corrected": 1.0}


unique_id: 125e24e480065e36d2345c9c48ce3c3a
username: dulak
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key_value_pairs:
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unique_id: 7858320065a197d3f63248a31fee3dc1
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "C3H6_D3h_bq3", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: ea443abdfc3708346e35c854c44db33b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "C3H6_D3h_bq3", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 5073.414342880249, "bsse_corrected": 1.0}


unique_id: 103d418e33bd71eb9c7b2bb24431e2cf
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "C3H6_D3h_bq4", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 1c3a2695f765e203f67ec67a38d97bab
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 26963 characters]

key_value_pairs:
  {"name": "C3H6_D3h", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 9719.8119320869446, "bsse_corrected": 1.0}


unique_id: 86b3724591939030472f7cd0ba57edde
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "C3H6_D3h_bq5", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 544a860d2014da2d53a719fcdd2e1de3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "C3H6_D3h_bq0", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 9089.011626958847, "bsse_corrected": 1.0}


unique_id: e11083bf8f19d14d942bf7427c192161
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "C3H6_D3h_bq6", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 7bddae9aa08b36f6cb75c3f26128216f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
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  {"name": "isobutene_bq2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 13651.151734113693, "bsse_corrected": 1.0}


unique_id: 80cdb88c1e8faf9c2f58c61ada54295b
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "isobutene_bq7", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 3ed013fcc73c109cc13dfa3470bf573c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "isobutene_bq3", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 13676.12890791893, "bsse_corrected": 1.0}


unique_id: fd43627a08b652d517ef581131f1cdaf
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "isobutene_bq8", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: 401118b1b8d2960d835ce75ae5f87549
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "isobutene_bq5", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 13638.107196092606, "bsse_corrected": 1.0}


unique_id: 5b290dd8c13f5cc52689eb7aae26cfeb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "isobutene_bq6", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 13545.789867162704, "bsse_corrected": 1.0}


unique_id: 7a4e31615aa838ff8858cb1a0704057c
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "trans-butane", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "bsse_corrected": 1.0}


unique_id: a9bd2625be42bfdee983839fd40a87a7
username: dulak
calculator: nwchem
data: null
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unique_id: 81e48e92ef034487f10b1b311d176b3f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
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unique_id: ff124221d8bfad4acff4a661ec2a3df4
username: dulak
data: null
key_value_pairs:
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unique_id: f856c1ababcbd48b7840c48b40513447
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
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unique_id: c49c9f706cfbe5a2f1f7bfd193c4330f
username: dulak
data: null
key_value_pairs:
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unique_id: b8cb9b2c5da58f9942e1b391d22ba8e1
username: dulak
data: null
key_value_pairs:
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unique_id: 77686916c83d638826643950d4d7c639
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 27503 characters]

key_value_pairs:
  {"name": "trans-butane_bq10", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 20763.130748033524, "bsse_corrected": 1.0}


unique_id: 51b7944de7ad053ab90b1a74fbeeccfa
username: dulak
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