# systems

unique_id: 3ae94494d1615388451ba3a9b5586610
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tolerances\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"bqO library O def2-qzvppd\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\nbqC library C def2-qzvppd\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\nbqN library N def2-qzvppd\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\nbqH library H def2-qzvppd\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\nH library H def2-qzvppd\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\n\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"geometry\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"noautosym nocenter noautoz\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 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\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gradient\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": null, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"energy\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": null, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"damp\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": null}}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "CH3CONH2_bq7", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 329.28297305107117, "bsse_corrected": 1.0}


unique_id: 926c108bc485b58127cc33acf2699017
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "NCCN", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: 7fbaaaf15de9c94ec71a1cff17e1de9d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tolerances\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 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def2-qzvppd\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\n\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"geometry\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"noautosym nocenter noautoz\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 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key_value_pairs:
  {"name": "CH3CONH2_bq6", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 333.73134016990662, "bsse_corrected": 1.0}


unique_id: b8e99c783f590ae4254d19a3a29e78a8
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "NCCN_bq0", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: 6c6fe9489f9302840aeb6f40d18932be
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6621 characters]

key_value_pairs:
  {"name": "CH3CONH2_bq8", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 331.03039288520813, "bsse_corrected": 1.0}


unique_id: 2eb0adf0c067e2983a9815d7a2948f16
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "NCCN_bq1", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: bb822ebb8cbea3b1d5995105b771efb5
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6313 characters]

key_value_pairs:
  {"name": "CH2NHCH2_bq1", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 282.91495490074158, "bsse_corrected": 1.0}


unique_id: aee8b969d0de0bdda8d41f28374c7767
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "NCCN_bq2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: e08685f0cba1b031591d9b247b6f4965
username: dulak
calculator: nwchem
data: null
calculator_parameters:
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key_value_pairs:
  {"name": "CH2NHCH2_bq0", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 350.70382618904114, "bsse_corrected": 1.0}


unique_id: b53d5ead1db82b3e74873cdf83d8f1cb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6467 characters]

key_value_pairs:
  {"name": "CH2NHCH2_bq4", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "project": "g2", "time": 187.1612241268158, "bsse_corrected": 1.0}


unique_id: 212ccad32f08eb1a986ef0265ef307e8
username: dulak
data: null
key_value_pairs:
  {"project": "g2", "name": "C2H6NH", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "bsse_corrected": 1.0}


unique_id: 7fcbdbade6c0a96b56a664cde8c502f2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
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unique_id: 29416420f05f23cbdb420d0c3c0bde0d
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[cell repeats an earlier one in this file: 6467 characters]

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unique_id: 37859e94685c606c815f582d9af5e088
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calculator: nwchem
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unique_id: 87d2fdbc7cdf88c8f942dfd4eee7ae88
username: dulak
data: null
key_value_pairs:
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unique_id: b561da63f25fbba45929489e575b192a
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calculator: nwchem
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unique_id: 4bb3c90f64b1a7483957ca51ac9b7f35
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 6309 characters]

key_value_pairs:
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unique_id: b67cdcf997349685483ec2242c62aec1
username: dulak
data: null
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unique_id: 1880be5514d87c77bdeb5d5fabc14fbc
username: dulak
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unique_id: 1a217db48c559ac4e15574105bbf36dc
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calculator: nwchem
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unique_id: 45285b70e39fb3d2c7073b0e408259e0
username: dulak
data: null
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unique_id: 55e96261ef2656bc756ffc4e5d14818f
username: dulak
calculator: nwchem
data: null
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[cell repeats an earlier one in this file: 6467 characters]

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[cell repeats an earlier one in this file: 6467 characters]

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[cell repeats an earlier one in this file: 6467 characters]

key_value_pairs:
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[cell repeats an earlier one in this file: 6467 characters]

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key_value_pairs:
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[cell repeats an earlier one in this file: 6467 characters]

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[cell repeats an earlier one in this file: 6467 characters]

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[cell repeats an earlier one in this file: 6467 characters]

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[cell repeats an earlier one in this file: 6467 characters]

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unique_id: a316ed4370841f070f2ebcaabba4a646
username: dulak
calculator: nwchem
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calculator: nwchem
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[cell repeats an earlier one in this file: 6467 characters]

key_value_pairs:
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calculator: nwchem
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[cell repeats an earlier one in this file: 6467 characters]

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