--- !ruby/object:ProtocolDataset::DataSet 
#===============================================================================
# Reference method
#===============================================================================
# See the paper

#===============================================================================
# Data set description
#===============================================================================

description: !ruby/object:ProtocolDataset::DataSetDescription 
  name: GMTKN_W4-08
  references: 
    "10.1021/jp801805p": "Karton, A.; Tarnopolsky, A.; Lamere, J. F.; Schatz, G. C.; Martin, J. M. L. J. Phys. Chem. A 2008, 112, 12868-12886."
  text: "atomization energies of small molecules"
  method_energy: "W4"

  global_setup:
    job: reaction
    reaction_print: []
    calculation:
      geometry_setup_from_file: yes

#===============================================================================
# Items
#===============================================================================

items: 
- !ruby/object:ProtocolDataset::DataSetItem
  name: "1"
  shortname: "1"
  geometry: "gmtkn_W4-08:h"
  reference_value: 607.02
  setup:
    reaction_formula: "1 g_b2h6 -> 6 g_h + 2 g_b"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_b: gmtkn_W4-08:b
      g_b2h6: gmtkn_W4-08:b2h6
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "2"
  shortname: "2"
  geometry: "gmtkn_W4-08:h"
  reference_value: 410.97
  setup:
    reaction_formula: "1 g_bf2h -> 1 g_h + 1 g_b + 2 g_f"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_b: gmtkn_W4-08:b
      g_f: gmtkn_W4-08:f
      g_bf2h: gmtkn_W4-08:bf2h
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "3"
  shortname: "3"
  geometry: "gmtkn_W4-08:f"
  reference_value: 470.97
  setup:
    reaction_formula: "1 g_bf3 -> 3 g_f + 1 g_b"
    reaction_geometries:
      g_f: gmtkn_W4-08:f
      g_b: gmtkn_W4-08:b
      g_bf3: gmtkn_W4-08:bf3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "4"
  shortname: "4"
  geometry: "gmtkn_W4-08:h"
  reference_value: 713.08
  setup:
    reaction_formula: "1 g_c2h6 -> 6 g_h + 2 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_c2h6: gmtkn_W4-08:c2h6
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "5"
  shortname: "5"
  geometry: "gmtkn_W4-08:h"
  reference_value: 343.75
  setup:
    reaction_formula: "1 g_h2cn -> 2 g_h + 1 g_c + 1 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_h2cn: gmtkn_W4-08:h2cn
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "6"
  shortname: "6"
  geometry: "gmtkn_W4-08:c"
  reference_value: 502.04
  setup:
    reaction_formula: "1 g_nccn -> 2 g_c + 2 g_n"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_nccn: gmtkn_W4-08:nccn
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "7"
  shortname: "7"
  geometry: "gmtkn_W4-08:h"
  reference_value: 482.28
  setup:
    reaction_formula: "1 g_ch2nh2 -> 4 g_h + 1 g_c + 1 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_ch2nh2: gmtkn_W4-08:ch2nh2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "8"
  shortname: "8"
  geometry: "gmtkn_W4-08:h"
  reference_value: 474.63
  setup:
    reaction_formula: "1 g_ch3nh -> 4 g_h + 1 g_c + 1 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_ch3nh: gmtkn_W4-08:ch3nh
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "9"
  shortname: "9"
  geometry: "gmtkn_W4-08:h"
  reference_value: 582.30
  setup:
    reaction_formula: "1 g_ch3nh2 -> 5 g_h + 1 g_c + 1 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_ch3nh2: gmtkn_W4-08:ch3nh2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "10"
  shortname: "10"
  geometry: "gmtkn_W4-08:f"
  reference_value: 258.78
  setup:
    reaction_formula: "1 g_cf2 -> 2 g_f + 1 g_c"
    reaction_geometries:
      g_f: gmtkn_W4-08:f
      g_c: gmtkn_W4-08:c
      g_cf2: gmtkn_W4-08:cf2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "11"
  shortname: "11"
  geometry: "gmtkn_W4-08:h"
  reference_value: 224.86
  setup:
    reaction_formula: "1 g_n2h -> 1 g_h + 2 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_n: gmtkn_W4-08:n
      g_n2h: gmtkn_W4-08:n2h
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "12"
  shortname: "12"
  geometry: "gmtkn_W4-08:h"
  reference_value: 296.53
  setup:
    reaction_formula: "1 g_n2h2 -> 2 g_h + 2 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_n: gmtkn_W4-08:n
      g_n2h2: gmtkn_W4-08:n2h2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "13"
  shortname: "13"
  geometry: "gmtkn_W4-08:h"
  reference_value: 438.28
  setup:
    reaction_formula: "1 g_n2h4 -> 4 g_h + 2 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_n: gmtkn_W4-08:n
      g_n2h4: gmtkn_W4-08:n2h4
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "14*"
  shortname: "14*"
  geometry: "gmtkn_W4-08:f"
  reference_value: 134.72
  setup:
    reaction_formula: "1 g_fo2 -> 1 g_f + 2 g_o"
    reaction_geometries:
      g_f: gmtkn_W4-08:f
      g_o: gmtkn_W4-08:o
      g_fo2: gmtkn_W4-08:fo2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "15*"
  shortname: "15*"
  geometry: "gmtkn_W4-08:f"
  reference_value: 152.37
  setup:
    reaction_formula: "1 g_foof -> 2 g_f + 2 g_o"
    reaction_geometries:
      g_f: gmtkn_W4-08:f
      g_o: gmtkn_W4-08:o
      g_foof: gmtkn_W4-08:foof
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "16"
  shortname: "16"
  geometry: "gmtkn_W4-08:f"
  reference_value: 430.97
  setup:
    reaction_formula: "1 g_alf3 -> 3 g_f + 1 g_al"
    reaction_geometries:
      g_f: gmtkn_W4-08:f
      g_al: gmtkn_W4-08:al
      g_alf3: gmtkn_W4-08:alf3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "17"
  shortname: "17"
  geometry: "gmtkn_W4-08:h"
  reference_value: 535.89
  setup:
    reaction_formula: "1 g_si2h6 -> 6 g_h + 2 g_si"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_si: gmtkn_W4-08:si
      g_si2h6: gmtkn_W4-08:si2h6
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "18"
  shortname: "18"
  geometry: "gmtkn_W4-08:p"
  reference_value: 290.58
  setup:
    reaction_formula: "1 g_p4 -> 4 g_p"
    reaction_geometries:
      g_p: gmtkn_W4-08:p
      g_p4: gmtkn_W4-08:p4
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "19"
  shortname: "19"
  geometry: "gmtkn_W4-08:s"
  reference_value: 260.62
  setup:
    reaction_formula: "1 g_so2 -> 1 g_s + 2 g_o"
    reaction_geometries:
      g_s: gmtkn_W4-08:s
      g_o: gmtkn_W4-08:o
      g_so2: gmtkn_W4-08:so2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "20"
  shortname: "20"
  geometry: "gmtkn_W4-08:s"
  reference_value: 346.94
  setup:
    reaction_formula: "1 g_so3 -> 1 g_s + 3 g_o"
    reaction_geometries:
      g_s: gmtkn_W4-08:s
      g_o: gmtkn_W4-08:o
      g_so3: gmtkn_W4-08:so3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "21"
  shortname: "21"
  geometry: "gmtkn_W4-08:o"
  reference_value: 335.75
  setup:
    reaction_formula: "1 g_ocs -> 1 g_o + 1 g_c + 1 g_s"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_c: gmtkn_W4-08:c
      g_s: gmtkn_W4-08:s
      g_ocs: gmtkn_W4-08:ocs
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "22"
  shortname: "22"
  geometry: "gmtkn_W4-08:c"
  reference_value: 280.78
  setup:
    reaction_formula: "1 g_cs2 -> 1 g_c + 2 g_s"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
      g_s: gmtkn_W4-08:s
      g_cs2: gmtkn_W4-08:cs2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "23"
  shortname: "23"
  geometry: "gmtkn_W4-08:o"
  reference_value: 208.78
  setup:
    reaction_formula: "1 g_s2o -> 1 g_o + 2 g_s"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_s: gmtkn_W4-08:s
      g_s2o: gmtkn_W4-08:s2o
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "24*"
  shortname: "24*"
  geometry: "gmtkn_W4-08:s"
  reference_value: 168.36
  setup:
    reaction_formula: "1 g_s3 -> 3 g_s"
    reaction_geometries:
      g_s: gmtkn_W4-08:s
      g_s3: gmtkn_W4-08:s3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "25*"
  shortname: "25*"
  geometry: "gmtkn_W4-08:s"
  reference_value: 234.35
  setup:
    reaction_formula: "1 g_s4 -> 4 g_s"
    reaction_geometries:
      g_s: gmtkn_W4-08:s
      g_s4: gmtkn_W4-08:s4
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "26"
  shortname: "26"
  geometry: "gmtkn_W4-08:be"
  reference_value: 225.27
  setup:
    reaction_formula: "1 g_becl2 -> 1 g_be + 2 g_cl"
    reaction_geometries:
      g_be: gmtkn_W4-08:be
      g_cl: gmtkn_W4-08:cl
      g_becl2: gmtkn_W4-08:becl2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "27"
  shortname: "27"
  geometry: "gmtkn_W4-08:c"
  reference_value: 177.36
  setup:
    reaction_formula: "1 g_ccl2 -> 1 g_c + 2 g_cl"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
      g_cl: gmtkn_W4-08:cl
      g_ccl2: gmtkn_W4-08:ccl2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "28"
  shortname: "28"
  geometry: "gmtkn_W4-08:al"
  reference_value: 312.65
  setup:
    reaction_formula: "1 g_alcl3 -> 1 g_al + 3 g_cl"
    reaction_geometries:
      g_al: gmtkn_W4-08:al
      g_cl: gmtkn_W4-08:cl
      g_alcl3: gmtkn_W4-08:alcl3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "29"
  shortname: "29"
  geometry: "gmtkn_W4-08:cl"
  reference_value: 285.45
  setup:
    reaction_formula: "1 g_clcn -> 1 g_cl + 1 g_c + 1 g_n"
    reaction_geometries:
      g_cl: gmtkn_W4-08:cl
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_clcn: gmtkn_W4-08:clcn
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "30*"
  shortname: "30*"
  geometry: "gmtkn_W4-08:o"
  reference_value: 128.12
  setup:
    reaction_formula: "1 g_oclo -> 2 g_o + 1 g_cl"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_cl: gmtkn_W4-08:cl
      g_oclo: gmtkn_W4-08:oclo
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "31*"
  shortname: "31*"
  geometry: "gmtkn_W4-08:o"
  reference_value: 126.39
  setup:
    reaction_formula: "1 g_cloo -> 2 g_o + 1 g_cl"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_cl: gmtkn_W4-08:cl
      g_cloo: gmtkn_W4-08:cloo
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "32*"
  shortname: "32*"
  geometry: "gmtkn_W4-08:o"
  reference_value: 101.46
  setup:
    reaction_formula: "1 g_cl2o -> 1 g_o + 2 g_cl"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_cl: gmtkn_W4-08:cl
      g_cl2o: gmtkn_W4-08:cl2o
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "33"
  shortname: "33"
  geometry: "gmtkn_W4-08:h"
  reference_value: 109.49
  setup:
    reaction_formula: "1 g_h2 -> 2 g_h"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_h2: gmtkn_W4-08:h2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "34"
  shortname: "34"
  geometry: "gmtkn_W4-08:h"
  reference_value: 107.21
  setup:
    reaction_formula: "1 g_oh -> 1 g_h + 1 g_o"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_o: gmtkn_W4-08:o
      g_oh: gmtkn_W4-08:oh
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "35"
  shortname: "35"
  geometry: "gmtkn_W4-08:h"
  reference_value: 141.64
  setup:
    reaction_formula: "1 g_hf -> 1 g_h + 1 g_f"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_f: gmtkn_W4-08:f
      g_hf: gmtkn_W4-08:hf
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "36"
  shortname: "36"
  geometry: "gmtkn_W4-08:h"
  reference_value: 232.97
  setup:
    reaction_formula: "1 g_h2o -> 2 g_h + 1 g_o"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_o: gmtkn_W4-08:o
      g_h2o: gmtkn_W4-08:h2o
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "37"
  shortname: "37"
  geometry: "gmtkn_W4-08:h"
  reference_value: 84.22
  setup:
    reaction_formula: "1 g_ch -> 1 g_h + 1 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_ch: gmtkn_W4-08:ch
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "38"
  shortname: "38"
  geometry: "gmtkn_W4-08:h"
  reference_value: 190.74
  setup:
    reaction_formula: "1 g_ch2 -> 2 g_h + 1 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_ch2: gmtkn_W4-08:ch2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "39"
  shortname: "39"
  geometry: "gmtkn_W4-08:h"
  reference_value: 307.87
  setup:
    reaction_formula: "1 g_ch3 -> 3 g_h + 1 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_ch3: gmtkn_W4-08:ch3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "40"
  shortname: "40"
  geometry: "gmtkn_W4-08:h"
  reference_value: 420.42
  setup:
    reaction_formula: "1 g_ch4 -> 4 g_h + 1 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_ch4: gmtkn_W4-08:ch4
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "41"
  shortname: "41"
  geometry: "gmtkn_W4-08:h"
  reference_value: 266.16
  setup:
    reaction_formula: "1 g_c2h -> 1 g_h + 2 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_c2h: gmtkn_W4-08:c2h
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "42"
  shortname: "42"
  geometry: "gmtkn_W4-08:h"
  reference_value: 405.52
  setup:
    reaction_formula: "1 g_c2h2 -> 2 g_h + 2 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_c2h2: gmtkn_W4-08:c2h2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "43"
  shortname: "43"
  geometry: "gmtkn_W4-08:h"
  reference_value: 298.02
  setup:
    reaction_formula: "1 g_nh3 -> 3 g_h + 1 g_n"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_n: gmtkn_W4-08:n
      g_nh3: gmtkn_W4-08:nh3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "44*"
  shortname: "44*"
  geometry: "gmtkn_W4-08:c"
  reference_value: 147.02
  setup:
    reaction_formula: "1 g_c2 -> 2 g_c"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
      g_c2: gmtkn_W4-08:c2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "45"
  shortname: "45"
  geometry: "gmtkn_W4-08:n"
  reference_value: 228.48
  setup:
    reaction_formula: "1 g_n2 -> 2 g_n"
    reaction_geometries:
      g_n: gmtkn_W4-08:n
      g_n2: gmtkn_W4-08:n2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "46"
  shortname: "46"
  geometry: "gmtkn_W4-08:c"
  reference_value: 259.73
  setup:
    reaction_formula: "1 g_co -> 1 g_c + 1 g_o"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
      g_o: gmtkn_W4-08:o
      g_co: gmtkn_W4-08:co
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "47"
  shortname: "47"
  geometry: "gmtkn_W4-08:c"
  reference_value: 181.35
  setup:
    reaction_formula: "1 g_cn -> 1 g_c + 1 g_n"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
      g_n: gmtkn_W4-08:n
      g_cn: gmtkn_W4-08:cn
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "48"
  shortname: "48"
  geometry: "gmtkn_W4-08:o"
  reference_value: 152.75
  setup:
    reaction_formula: "1 g_no -> 1 g_o + 1 g_n"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_n: gmtkn_W4-08:n
      g_no: gmtkn_W4-08:no
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "49"
  shortname: "49"
  geometry: "gmtkn_W4-08:o"
  reference_value: 120.82
  setup:
    reaction_formula: "1 g_o2 -> 2 g_o"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_o2: gmtkn_W4-08:o2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "50*"
  shortname: "50*"
  geometry: "gmtkn_W4-08:o"
  reference_value: 53.08
  setup:
    reaction_formula: "1 g_of -> 1 g_o + 1 g_f"
    reaction_geometries:
      g_o: gmtkn_W4-08:o
      g_f: gmtkn_W4-08:f
      g_of: gmtkn_W4-08:of
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
  name: "51*"
  shortname: "51*"
  geometry: "gmtkn_W4-08:f"
  reference_value: 39.04
  setup:
    reaction_formula: "1 g_f2 -> 2 g_f"
    reaction_geometries:
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    reaction_formula: "1 g_ph3 -> 3 g_h + 1 g_p"
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      g_h: gmtkn_W4-08:h
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      g_ph3: gmtkn_W4-08:ph3
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:h"
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    reaction_formula: "1 g_hs -> 1 g_h + 1 g_s"
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      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:h"
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    reaction_formula: "1 g_h2s -> 2 g_h + 1 g_s"
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      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_hcl -> 1 g_h + 1 g_cl"
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_so -> 1 g_s + 1 g_o"
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      g_s: gmtkn_W4-08:s
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_clo -> 1 g_cl + 1 g_o"
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:cl"
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_p2 -> 2 g_p"
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:s"
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    reaction_formula: "1 g_s2 -> 2 g_s"
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      g_s: gmtkn_W4-08:s
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_cl2 -> 2 g_cl"
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      g_cl: gmtkn_W4-08:cl
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_be2 -> 2 g_be"
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_b2 -> 2 g_b"
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      g_b: gmtkn_W4-08:b
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_bh -> 1 g_h + 1 g_b"
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      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_bh3 -> 3 g_h + 1 g_b"
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      g_h: gmtkn_W4-08:h
      g_b: gmtkn_W4-08:b
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:n"
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    reaction_formula: "1 g_bn_S -> 1 g_n + 1 g_b"
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      g_n: gmtkn_W4-08:n
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_bf -> 1 g_f + 1 g_b"
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      g_f: gmtkn_W4-08:f
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_nh -> 1 g_n + 1 g_h"
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      g_n: gmtkn_W4-08:n
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_nh2 -> 1 g_n + 2 g_h"
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      g_n: gmtkn_W4-08:n
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_hcn -> 1 g_h + 1 g_c + 1 g_n"
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      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_hof -> 1 g_h + 1 g_o + 1 g_f"
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      g_h: gmtkn_W4-08:h
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      g_f: gmtkn_W4-08:f
      g_hof: gmtkn_W4-08:hof
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- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_alh -> 1 g_h + 1 g_al"
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      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_alh3 -> 3 g_h + 1 g_al"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_alf -> 1 g_f + 1 g_al"
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      g_f: gmtkn_W4-08:f
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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      g_cl: gmtkn_W4-08:cl
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_sih4 -> 4 g_h + 1 g_si"
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      g_h: gmtkn_W4-08:h
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_sio -> 1 g_o + 1 g_si"
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      g_o: gmtkn_W4-08:o
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      g_sio: gmtkn_W4-08:sio
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:f"
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    reaction_formula: "1 g_sif -> 1 g_f + 1 g_si"
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      g_f: gmtkn_W4-08:f
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_cs -> 1 g_c + 1 g_s"
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      g_c: gmtkn_W4-08:c
      g_s: gmtkn_W4-08:s
      g_cs: gmtkn_W4-08:cs
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  shortname: "81*"
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    reaction_formula: "1 g_bn_T -> 1 g_n + 1 g_b"
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      g_n: gmtkn_W4-08:n
      g_b: gmtkn_W4-08:b
      g_bn_T: gmtkn_W4-08:bn_T
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  shortname: "82"
  geometry: "gmtkn_W4-08:c"
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    reaction_formula: "1 g_cf -> 1 g_c + 1 g_f"
    reaction_geometries:
      g_c: gmtkn_W4-08:c
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      g_cf: gmtkn_W4-08:cf
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_bef2 -> 1 g_be + 2 g_f"
    reaction_geometries:
      g_be: gmtkn_W4-08:be
      g_f: gmtkn_W4-08:f
      g_bef2: gmtkn_W4-08:bef2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  shortname: "84"
  geometry: "gmtkn_W4-08:h"
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    reaction_formula: "1 g_ch2c -> 2 g_h + 2 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_ch2c: gmtkn_W4-08:ch2c
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  shortname: "85"
  geometry: "gmtkn_W4-08:h"
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  setup:
    reaction_formula: "1 g_ch2ch -> 3 g_h + 2 g_c"
    reaction_geometries:
      g_h: gmtkn_W4-08:h
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      g_ch2ch: gmtkn_W4-08:ch2ch
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  shortname: "86"
  geometry: "gmtkn_W4-08:h"
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    reaction_formula: "1 g_c2h4 -> 4 g_h + 2 g_c"
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      g_h: gmtkn_W4-08:h
      g_c: gmtkn_W4-08:c
      g_c2h4: gmtkn_W4-08:c2h4
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  geometry: "gmtkn_W4-08:h"
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    reaction_formula: "1 g_ch2nh -> 3 g_h + 1 g_c + 1 g_n"
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      g_n: gmtkn_W4-08:n
      g_ch2nh: gmtkn_W4-08:ch2nh
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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    reaction_formula: "1 g_hco -> 1 g_h + 1 g_c + 1 g_o"
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      g_o: gmtkn_W4-08:o
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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      g_o: gmtkn_W4-08:o
      g_co2: gmtkn_W4-08:co2
  tags: ""

- !ruby/object:ProtocolDataset::DataSetItem
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  tags: ""

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      g_n: gmtkn_W4-08:n
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  tags: ""

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  tags: ""

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  tags: ""

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  tags: ""

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  tags: ""

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      g_hocl: gmtkn_W4-08:hocl
  tags: ""

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      g_h: gmtkn_W4-08:h
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  tags: ""