GMTKN30 BH76
------------
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
^^^^^^^^^
c3h7
PH2
C2H5
ch3cl
f-
hnc
RKT22
RKT03
N2H2
RKT14
n2o
f
RKT21
fch3fcomp
OH
f2
clch3clcomp
n2
CH2OH
hcots
hoch3fts
NH2
HCl
NH
RKT18
hco
CH3OH
hf
fch3fts
C2H6
H2S
hcnts
hn2
CH3
H2
CH4
c2h4
h
NH3
RKT04
n2ohts
RKT05
RKT06
RKT02
cl
hoch3fcomp2
hch3clts
RKT16
RKT17
RKT12
HS
c2h5ts
PH3
hfch3ts
O
ch3
H2O
ch3fclts
RKT15
clch3clts
ch3oh
clf2ts
cl-
HF
RKT09
c3h7ts
Cl
c2h5
RKT10
hfhts
fch3clcomp2
hn2ts
hcl
RKT20
oh
ch3f
fch3clcomp1
RKT11
hoch3fcomp1
oh-
RKT19
RKT01
C5H8
hf2ts
N2H
H
hcn
clf
fch3clts
co
F
RKT08
hclhts
RKT07
RKT13

Reactions
^^^^^^^^^
| 1: h + n2o -> n2ohts, energy = 0.028907930121600003
| 2: OH + n2 -> n2ohts, energy = 0.1326195118368
| 3: h + hf -> hfhts, energy = 0.0672181087392
| 4: hf + h -> hfhts, energy = 0.0672181087392
| 5: h + HCl -> hclhts, energy = 0.02868482592
| 6: HCl + h -> hclhts, energy = 0.02868482592
| 7: h + ch3f -> hfch3ts, energy = 0.0484136117472
| 8: hf + CH3 -> hfch3ts, energy = 0.0908671541088
| 9: h + f2 -> hf2ts, energy = 0.0036174752688000003
| 10: hf + f -> hf2ts, energy = 0.1692086008992
| 11: CH3 + clf -> ch3fclts, energy = 0.0118404586992
| 12: ch3f + cl -> ch3fclts, energy = 0.0958869986448
| 13: f- + ch3f -> fch3fts, energy = -0.0005418244896000001
| 14: ch3f + f- -> fch3fts, energy = -0.0005418244896000001
| 15: fch3fcomp -> fch3fts, energy = 0.0213223872672
| 16: fch3fcomp -> fch3fts, energy = 0.0213223872672
| 17: cl- + ch3cl -> clch3clts, energy = 0.004940164464
| 18: ch3cl + cl- -> clch3clts, energy = 0.004940164464
| 19: clch3clcomp -> clch3clts, energy = 0.0216889155984
| 20: clch3clcomp -> clch3clts, energy = 0.0216889155984
| 21: f- + ch3cl -> fch3clts, energy = -0.0199837620576
| 22: cl- + ch3f -> fch3clts, energy = 0.0320473249584
| 23: fch3clcomp1 -> fch3clts, energy = 0.0046055081616
| 24: fch3clcomp2 -> fch3clts, energy = 0.0472024746528
| 25: oh- + ch3f -> hoch3fts, energy = -0.0044302120031999995
| 26: CH3OH + f- -> hoch3fts, energy = 0.027617112955199998
| 27: hoch3fcomp2 -> hoch3fts, energy = 0.017465871782400003
| 28: hoch3fcomp1 -> hoch3fts, energy = 0.075217987968
| 29: h + n2 -> hn2ts, energy = 0.0234100051536
| 30: hn2 -> hn2ts, energy = 0.0170834074368
| 31: h + co -> hcots, energy = 0.0050517165648
| 32: hco -> hcots, energy = 0.0361428806592
| 33: h + c2h4 -> c2h5ts, energy = 0.0027409944768
| 34: C2H5 -> c2h5ts, energy = 0.06653286012
| 35: CH3 + c2h4 -> c3h7ts, energy = 0.010916169864
| 36: c3h7 -> c3h7ts, energy = 0.0525410394768
| 37: hcn -> hcnts, energy = 0.0767478453504
| 38: hnc -> hcnts, energy = 0.0527641436784
| 39: h + HCl -> RKT01, energy = 0.009083528208
| 40: H2 + cl -> RKT01, energy = 0.013864332528
| 41: OH + H2 -> RKT02, energy = 0.008127367344
| 42: H2O + h -> RKT02, energy = 0.033784350528
| 43: CH3 + H2 -> RKT03, energy = 0.019282577424
| 44: CH4 + h -> RKT03, energy = 0.024382102032000003
| 45: OH + CH4 -> RKT04, energy = 0.010677129648
| 46: H2O + CH3 -> RKT04, energy = 0.031234588224000003
| 47: h + H2 -> RKT06, energy = 0.015298573824
| 48: h + H2 -> RKT06, energy = 0.015298573824
| 49: OH + NH3 -> RKT07, energy = 0.005099524608
| 50: H2O + NH2 -> RKT07, energy = 0.020238738287999998
| 51: HCl + CH3 -> RKT08, energy = 0.002709122448
| 52: cl + CH4 -> RKT08, energy = 0.012589451376
| 53: OH + C2H6 -> RKT09, energy = 0.005418244896
| 54: H2O + C2H5 -> RKT09, energy = 0.031712668656
| 55: f + H2 -> RKT10, energy = 0.002868482592
| 56: hf + h -> RKT10, energy = 0.053226288095999996
| 57: O + CH4 -> RKT11, energy = 0.021832339728
| 58: OH + CH3 -> RKT11, energy = 0.012908171664
| 59: h + PH3 -> RKT12, energy = 0.004940164464
| 60: H2 + PH2 -> RKT12, energy = 0.036971553408
| 61: h + OH -> RKT14, energy = 0.017051535407999998
| 62: H2 + O -> RKT14, energy = 0.020876178864
| 63: h + H2S -> RKT16, energy = 0.00557760504
| 64: H2 + HS -> RKT16, energy = 0.027569304912000003
| 65: O + HCl -> RKT17, energy = 0.015617294112000002
| 66: OH + cl -> RKT17, energy = 0.016573454976
| 67: NH2 + CH3 -> RKT18, energy = 0.01274881152
| 68: NH + CH4 -> RKT18, energy = 0.035696672256
| 69: NH2 + C2H5 -> RKT19, energy = 0.0119520108
| 70: NH + C2H6 -> RKT19, energy = 0.029162906352
| 71: C2H6 + NH2 -> RKT20, energy = 0.016573454976
| 72: C2H5 + NH3 -> RKT20, energy = 0.027728665056
| 73: NH2 + CH4 -> RKT21, energy = 0.02310722088
| 74: NH3 + CH3 -> RKT21, energy = 0.028366105632
| 75: C5H8 -> RKT22, energy = 0.061194295296
| 76: C5H8 -> RKT22, energy = 0.061194295296