GMTKN30 W4-08
-------------
References
^^^^^^^^^^
| GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30
| L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules
^^^^^^^^^
h2cn
alcl
ch2nh2
n2o
f
ch3nh2
co2
o2
clo
n2h4
c2h2
cn
ph3
f2o
f2
n2
h2
b2
hno
nh2
foof
so
ocs
alf
be
hco
be2
hf
p4
ch2
alh
oclo
c2h
cs2
c2h4
p2
h
si2h6
of
alh3
cf2
s3
cl
alcl3
bh
cs
becl2
p
nh3
bh3
nh
cf
ccl2
n2h
c2h6
bf3
ch2c
sih
ch3
ssh
no
c
c2
sih4
fo2
cl2
s4
hocl
hs
s2
s
cloo
h2o2
al
ch2nh
bf2h
bn_T
o3
bef2
hoo
clcn
sif
hcl
cl2o
oh
so2
sio
ch4
o
b
n
so3
hof
nccn
no2
ch
h2o
ch2o
si
s2o
h2s
b2h6
bf
hcn
clf
bn_S
ch2ch
co
n2h2
ch3nh
alf3

Reactions
^^^^^^^^^
| 1: b2h6 -> 6h + 2b, energy = 0.9673479461088
| 2: bf2h -> h + b + 2f, energy = 0.6549223837968
| 3: bf3 -> 3f + b, energy = 0.7505384701968001
| 4: c2h6 -> 6h + 2c, energy = 1.1363653148352
| 5: h2cn -> 2h + c + n, energy = 0.547800495
| 6: nccn -> 2c + 2n, energy = 0.8000516669376
| 7: ch2nh2 -> 4h + c + n, energy = 0.7685621024832
| 8: ch3nh -> 4h + c + n, energy = 0.7563710514672
| 9: ch3nh2 -> 5h + c + n, energy = 0.9279541185119999
| 10: cf2 -> 2f + c, energy = 0.41239218064319993
| 11: n2h -> h + 2n, energy = 0.35833721979840005
| 12: n2h2 -> 2h + 2n, energy = 0.47255063500319994
| 13: n2h4 -> 4h + 2n, energy = 0.6984436391232
| 14*: fo2 -> f + 2o, energy = 0.2146899859968
| 15*: foof -> 2f + 2o, energy = 0.24281705141280002
| 16: alf3 -> 3f + al, energy = 0.6867944125968001
| 17: si2h6 -> 6h + 2si, energy = 0.8539950756815999
| 18: p4 -> 4p, energy = 0.4630687064352
| 19: so2 -> s + 2o, energy = 0.4153244072928
| 20: so3 -> s + 3o, energy = 0.5528840835936
| 21: ocs -> o + c + s, energy = 0.53505168348
| 22: cs2 -> c + 2s, energy = 0.44745141232319996
| 23: s2o -> o + 2s, energy = 0.3327121086432
| 24*: s3 -> 3s, energy = 0.2682987384384
| 25*: s4 -> 4s, energy = 0.373460497464
| 26: becl2 -> be + 2cl, energy = 0.35899059638880004
| 27: ccl2 -> c + 2cl, energy = 0.2826411513984
| 28: alcl3 -> al + 3cl, energy = 0.49823949021599995
| 29: clcn -> cl + c + n, energy = 0.454893531048
| 30*: oclo -> 2o + cl, energy = 0.2041722164928
| 31*: cloo -> 2o + cl, energy = 0.2014152860016
| 32*: cl2o -> o + 2cl, energy = 0.1616868021024
| 33: h2 -> 2h, energy = 0.1744834216656
| 34: oh -> h + o, energy = 0.1708500103824
| 35: hf -> h + f, energy = 0.22571770796159998
| 36: h2o -> 2h + o, energy = 0.3712613274768
| 37: ch -> h + c, energy = 0.1342131132768
| 38: ch2 -> 2h + c, energy = 0.3039635386656
| 39: ch3 -> 3h + c, energy = 0.4906220753328
| 40: ch4 -> 4h + c, energy = 0.6699819174048001
| 41: c2h -> h + 2c, energy = 0.42415295927040003
| 42: c2h2 -> 2h + 2c, energy = 0.6462372559488
| 43: nh3 -> 3h + n, energy = 0.4749251011488
| 44*: c2 -> 2c, energy = 0.2342912837088
| 45: n2 -> 2n, energy = 0.36410605701119997
| 46: co -> c + o, energy = 0.41390610201120004
| 47: cn -> c + n, energy = 0.288999621144
| 48: no -> o + n, energy = 0.24342261996
| 49: o2 -> 2o, energy = 0.1925389259808
| 50*: of -> o + f, energy = 0.0845883644352
| 51*: f2 -> 2f, energy = 0.0622142002176
| 52: ph3 -> 3h + p, energy = 0.3860818208688
| 53: hs -> h + s, energy = 0.13980665433120001
| 54: h2s -> 2h + s, energy = 0.2930792408304
| 55: hcl -> h + cl, energy = 0.1713121548
| 56: so -> s + o, energy = 0.2015427741168
| 57: clo -> cl + o, energy = 0.10430121424800001
| 58: clf -> cl + f, energy = 0.100078170432
| 59: p2 -> 2p, energy = 0.1873915933296
| 60: s2 -> 2s, energy = 0.16613295012
| 61: cl2 -> 2cl, energy = 0.09521768604
| 62*: be2 -> 2be, energy = 0.0042549158448
| 63*: b2 -> 2b, energy = 0.10750435314239999
| 64: bh -> h + b, energy = 0.1354401863856
| 65: bh3 -> 3h + b, energy = 0.44826414905760004
| 66*: bn_S -> n + b, energy = 0.1677106155456
| 67: bf -> f + b, energy = 0.2908641348288
| 68: nh -> n + h, energy = 0.132428279664
| 69: nh2 -> n + 2h, energy = 0.2909756869296
| 70: hcn -> h + c + n, energy = 0.49946656332480005
| 71: hof -> h + o + f, energy = 0.252824868456
| 72: alh -> h + al, energy = 0.1172412579408
| 73: alh3 -> 3h + al, energy = 0.33970801896479996
| 74: alf -> f + al, energy = 0.2610000438432
| 75: alcl -> cl + al, energy = 0.1954074085728
| 76: sih -> h + si, energy = 0.11779901844480001
| 77: sih4 -> 4h + si, energy = 0.517840787928
| 78: sio -> o + si, energy = 0.30764475799200003
| 79: sif -> f + si, energy = 0.22742286150240001
| 80: cs -> c + s, energy = 0.2744500399968
| 81*: bn_T -> n + b, energy = 0.1686349043808
| 82: cf -> c + f, energy = 0.2115027831168
| 83: bef2 -> be + 2f, energy = 0.492582205104
| 84: ch2c -> 2h + 2c, energy = 0.5735849662992
| 85: ch2ch -> 3h + 2c, energy = 0.7108737303552
| 86: c2h4 -> 4h + 2c, energy = 0.898950572304
| 87: ch2nh -> 3h + c + n, energy = 0.7002922167936
| 88: hco -> h + c + o, energy = 0.44528411436480003
| 89: ch2o -> 2h + c + o, energy = 0.5970587155104
| 90: co2 -> c + 2o, energy = 0.6217276658016
| 91: hno -> h + n + o, energy = 0.3281066004816
| 92: no2 -> n + 2o, energy = 0.3631498961472
| 93: n2o -> 2n + o, energy = 0.43162695002400003
| 94*: o3 -> 3o, energy = 0.23494466029920003
| 95: hoo -> h + 2o, energy = 0.2797248607632
| 96: h2o2 -> 2h + 2o, energy = 0.4288222114896
| 97*: f2o -> 2f + o, energy = 0.1494479430432
| 98: hocl -> h + o + cl, energy = 0.2649043673712
| 99: ssh -> h + 2s, energy = 0.2631514057872