# systems

unique_id: 57ff61af5b9b5c6a358123c5c94c9e16
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: 214d5f19d0d3eebccc4d12df3463b7d6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6621 characters]

key_value_pairs:
  {"name": "C2H6SO_bq8", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 466.10378909111023, "bsse_corrected": 1.0}


unique_id: c1fd40cb17cdf1cd304da14aa64c8593
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tolerances\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 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key_value_pairs:
  {"name": "CH3CH2SH_bq3", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 266.410395860672, "bsse_corrected": 1.0}


unique_id: 427456299239d101dd19f051249b3b84
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3_bq0", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: ace87f9521a6f801bf8aae66abb8b8c8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6467 characters]

key_value_pairs:
  {"name": "CH3CH2SH_bq4", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 291.64289402961731, "bsse_corrected": 1.0}


unique_id: c9dc5c2a8ede6901d0071afae74ec323
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3_bq1", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: bd06847a61fa4ca1456bc3f15e2fa0f9
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3_bq2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: db225bac8f12cce84f7536d1eb0814ab
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tolerances\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 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key_value_pairs:
  {"name": "CH3CH2SH_bq0", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 493.64669394493103, "bsse_corrected": 1.0}


unique_id: 3de2e6b0a28311c5f0f3efef01b84d1a
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3_bq3", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: 38b23200c89a7d6cb2facdd61efe7cfd
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6467 characters]

key_value_pairs:
  {"name": "CH3CH2SH_bq5", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 269.25064015388489, "bsse_corrected": 1.0}


unique_id: 722ddad0ede0bacbe5169514ad40be43
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3_bq4", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: 382e26be8ce37a6c9214544dd955df0c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: add90446f3e09d99c39a9204d94bfc9a
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "CH3SCH3_bq5", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: df921c43a634498d88da2b9ef00adaf0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
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[cell repeats an earlier one in this file: 6467 characters]

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