GMTKN55 W4-11
-------------
References
^^^^^^^^^^
| GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55
| L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G
| reference data: http://dx.doi.org/10.1016/j.cplett.2011.05.007
| A. Karton, S. Daon, J. M. L. Martin and B. Ruscic, Chem. Phys. Lett., 2011, 510, 165-178: http://dx.doi.org/10.1016/j.cplett.2011.05.007

Molecules
^^^^^^^^^
alf3
h2o
ch3f
hcno
ch2ch
ch2f2
hcnh
p4
honc
h2s
ketene
s2
c2h6
oclo
t-hono
ccl2
s3
f2o
p2
oxirane
b2h6
c-hooo
b2
h2
hco
ch2-sing
fo2
be
foof
no
al
nh
bf3
oxirene
hcn
n2h4
fccf
be2
hnco
hno
sio
hnnn
bh3
sih
cn
sif
so3
becl2
o2
ch2-trip
so2
f2
ch
co
cf
cs
c2h3f
o3
cloo
hooh
clo
s2o
clf
hccf
n
ch2c
ph3
ch2nh
c-n2h2
nh2cl
hocl
t-hcoh
ocs
s
alh3
f
methanol
o
h
allene
ch2nh2
propyne
ch3
h2cn
ch4
c2h4
so
n2h
sif4
n2o
h2co
ssh
s4-c2v
dioxirane
c2h2
si
alcl
bh
hcl
bf
hs
no2
propane
ch3nh
hf
t-n2h2
glyoxal
acetaldehyde
hoo
c-hcoh
ch3nh2
bn
ethanol
cs2
propene
hof
nccn
bef2
n2
nh2
f2co
formic
oh
c2h5f
of
bn3pi
clcn
nh3
c-hono
acetic
c2
hnc
cl
cl2
c
t-hooo
sih4
alf
si2h6
bhf2
cf2
cch
alh
hocn
cl2o
alcl3
b
hcof
co2
sih3f
p
cf4

Reactions
^^^^^^^^^
| 1: h2 -> 2h, energy = 0.17448820246992
| 2: alh3 -> al + 3h, energy = 0.33970642536336004
| 3: alh -> al + h, energy = 0.1172412579408
| 4: sih4 -> si + 4h, energy = 0.5178328199208
| 5: bh3 -> b + 3h, energy = 0.44825936825327994
| 6: bh -> b + h, energy = 0.1354481543928
| 7: ch2-trip -> c + 2h, energy = 0.3039715066728
| 8: sih -> si + h, energy = 0.11780061204624001
| 9: si2h6 -> 2si + 6h, energy = 0.8539871076744
| 10: ch3 -> c + 3h, energy = 0.4906220753328
| 11: ch4 -> c + 4h, energy = 0.6699819174048001
| 12: b2h6 -> 2b + 6h, energy = 0.96735272691312
| 13: sih3f -> si + 3h + f, energy = 0.60995573196432
| 14: ph3 -> p + 3h, energy = 0.38607704006448
| 15: c2h6 -> 2c + 6h, energy = 1.1363653148352
| 16: propane -> 3c + 8h, energy = 1.60620523378896
| 17: ch2-sing -> c + 2h, energy = 0.28916854289664
| 18: ch -> c + h, energy = 0.13421470687824
| 19: h2s -> 2h + s, energy = 0.29308402163472
| 20: hs -> h + s, energy = 0.13980824793264
| 21: c2h5f -> 2c + 5h + f, energy = 1.14978662616288
| 22: ch3nh2 -> c + n + 5h, energy = 0.9279557121134401
| 23: ch3f -> c + f + 3h, energy = 0.67402807146096
| 24: propene -> 3c + 6h, energy = 1.37301194147232
| 25: nh3 -> n + 3h, energy = 0.47492191394592
| 26: ethanol -> 2c + o + 6h, energy = 1.29279482578704
| 27: ch3nh -> c + n + 4h, energy = 0.75636945786576
| 28: c2h4 -> 2c + 4h, energy = 0.8989426042968001
| 29: methanol -> c + o + 4h, energy = 0.81831593304144
| 30: hcl -> h + cl, energy = 0.17131056119856
| 31: nh2 -> n + 2h, energy = 0.29097728053104
| 32: nh -> n + h, energy = 0.13242190525824002
| 33: ch2nh2 -> c + n + 4h, energy = 0.76855572807744
| 34: bhf2 -> b + h + 2f, energy = 0.65492716460112
| 35: h2o -> 2h + o, energy = 0.37126770188256
| 36: hf -> h + f, energy = 0.22571770796159998
| 37: ch2ch -> 2c + 3h, energy = 0.71087532395664
| 38: oh -> o + h, energy = 0.17084682317952
| 39: propyne -> 3c + 4h, energy = 1.1244531440712
| 40: acetaldehyde -> 2c + o + 4h, energy = 1.08024504652416
| 41: allene -> 3c + 4h, energy = 1.122054773904
| 42: sif4 -> si + 4f, energy = 0.9207510400032
| 43: bf3 -> b + 3f, energy = 0.7505432510011201
| 44: c2h3f -> 2c + f + 3h, energy = 0.91455511760448
| 45: oxirane -> 2c + o + 4h, energy = 1.03827277179744
| 46: ch2f2 -> c + 2f + 2h, energy = 0.6974683550419201
| 47: alf3 -> al + 3f, energy = 0.68678963179248
| 48: bef2 -> be + 2f, energy = 0.49258061150256
| 49: ch2c -> 2c + 2h, energy = 0.5735913407049601
| 50: n2h4 -> 4h + 2n, energy = 0.69844523272464
| 51: ch2nh -> c + n + 3h, energy = 0.70029381039504
| 52: alf -> al + f, energy = 0.2610000438432
| 53: acetic -> 2c + 2o + 4h, energy = 1.2812826489844802
| 54: c2h2 -> 2c + 2h, energy = 0.6462452239559999
| 55: h2co -> 2h + c + o, energy = 0.5970555283075201
| 56: h2cn -> 2h + c + n, energy = 0.54779890139856
| 57: bf -> b + f, energy = 0.29085935402448
| 58: becl2 -> be + 2cl, energy = 0.35899697079456
| 59: t-hcoh -> c + o + 2h, energy = 0.5138998115668799
| 60: alcl3 -> al + 3cl, energy = 0.49824108381744003
| 61: c-hcoh -> c + o + 2h, energy = 0.50620271661168
| 62: alcl -> al + cl, energy = 0.19540422136992
| 63: ketene -> 2c + o + 2h, energy = 0.85012581138528
| 64: sif -> si + f, energy = 0.22742286150240001
| 65: formic -> c + 2o + 2h, energy = 0.79982696913456
| 66: hcnh -> c + n + 2h, energy = 0.53584689059856
| 67: glyoxal -> 2c + 2o + 2h, energy = 1.01209786814544
| 68: hcof -> c + o + f + h, energy = 0.64340542618992
| 69: nh2cl -> n + cl + 2h, energy = 0.39530717960496
| 70: cf4 -> c + 4f, energy = 0.7629526254144
| 71: hccf -> 2c + f + h, energy = 0.63500555299968
| 72: hcn -> h + c + n, energy = 0.49946337612192004
| 73: hnc -> h + c + n, energy = 0.47521673021231997
| 74: cch -> 2c + h, energy = 0.42415774007472
| 75: hco -> h + c + o, energy = 0.44528730156768004
| 76: co -> c + o, energy = 0.41390132120687995
| 77: oxirene -> 2c + o + 2h, energy = 0.72679699594368
| 78: f2co -> c + o + 2f, energy = 0.6703261353158401
| 79: hocn -> c + o + n + h, energy = 0.65348176809504
| 80: hooh -> 2h + 2o, energy = 0.42882061788816
| 81: t-n2h2 -> 2h + 2n, energy = 0.47255700940896
| 82: hnco -> c + o + n + h, energy = 0.69279750922128
| 83: c-n2h2 -> 2h + 2n, energy = 0.4639531552344
| 84: cf2 -> c + 2f, energy = 0.41239536784608
| 85: co2 -> c + 2o, energy = 0.62172925940304
| 86: fccf -> 2c + 2f, energy = 0.61526879916528
| 87: dioxirane -> c + 2o + 2h, energy = 0.65342280484176
| 88: cf -> c + f, energy = 0.21150437671824002
| 89: ssh -> 2s + h, energy = 0.26314821858431997
| 90: hocl -> h + o + cl, energy = 0.26490277376976
| 91: nccn -> 2n + 2c, energy = 0.80004688613328
| 92: n2 -> 2n, energy = 0.3641140250184
| 93: n2h -> 2n + h, energy = 0.35834359420416
| 94: ocs -> o + c + s, energy = 0.53504690267568
| 95: sio -> si + o, energy = 0.30764794519488
| 96: clcn -> cl + c + n, energy = 0.45488875024368003
| 97: hoo -> h + 2o, energy = 0.27972964156752
| 98: hcno -> c + o + n + h, energy = 0.58161831115824
| 99: honc -> c + o + n + h, energy = 0.55799795061456
| 100: hno -> h + n + o, energy = 0.3281066004816
| 101: hof -> h + o + f, energy = 0.25282964926032
| 102: c-hono -> h + n + 2o, energy = 0.49755264799536
| 103: t-hono -> h + n + 2o, energy = 0.49823789661456
| 104: cs2 -> c + 2s, energy = 0.44744822512032006
| 105: hnnn -> h + 3n, energy = 0.5287330537704
| 106: cs -> c + s, energy = 0.27444685279392
| 107: cn -> c + n, energy = 0.288999621144
| 108: so3 -> s + 3o, energy = 0.55288886439792
| 109: ccl2 -> c + 2cl, energy = 0.28263637059408
| 110: bn3pi -> b + n, energy = 0.1686269363736
| 111: so2 -> s + 2o, energy = 0.41532600089424
| 112: no -> n + o, energy = 0.24341465195280002
| 113: so -> s + o, energy = 0.2015348061096
| 114: n2o -> 2n + o, energy = 0.43162535642256
| 115: c-hooo -> h + 3o, energy = 0.37145096604816
| 116: s2 -> 2s, energy = 0.16613454372144001
| 117: p4 -> 4p, energy = 0.46306551923232
| 118: cl2 -> 2cl, energy = 0.09521768604
| 119: o2 -> 2o, energy = 0.19254530038656
| 120: f2 -> 2f, energy = 0.062217387420480004
| 121: t-hooo -> h + 3o, energy = 0.37178243514768
| 122: s2o -> 2s + o, energy = 0.33271370224464003
| 123: p2 -> 2p, energy = 0.18739637413392002
| 124: clf -> cl + f, energy = 0.100078170432
| 125: no2 -> n + 2o, energy = 0.36315308335008
| 126: clo -> cl + o, energy = 0.10429643344368
| 127: s3 -> 3s, energy = 0.26830511284416003
| 128: cl2o -> 2cl + o, energy = 0.16168202129808
| 129: s4-c2v -> 4s, energy = 0.37345731026112
| 130: of -> o + f, energy = 0.08458039642800001
| 131: c2 -> 2c, energy = 0.23429606451312
| 132: oclo -> 2o + cl, energy = 0.2041722164928
| 133: f2o -> 2f + o, energy = 0.1494479430432
| 134: b2 -> 2b, energy = 0.10750275954096
| 135: fo2 -> f + 2o, energy = 0.21469157959824
| 136: cloo -> cl + 2o, energy = 0.2014073179944
| 137: foof -> 2f + 2o, energy = 0.24281545781136
| 138: o3 -> 3o, energy = 0.23494147309632
| 139: bn -> b + n, energy = 0.16770902194416
| 140: be2 -> 2be, energy = 0.00425332224336