BH76_chg_2s.yaml

C2H5:
  2S: 1
  Charge: 0
  R: false
C2H6:
  2S: 0
  Charge: 0
  R: true
C5H8:
  2S: 0
  Charge: 0
  R: true
CH2OH:
  2S: 1
  Charge: 0
  R: false
CH4:
  2S: 0
  Charge: 0
  R: true
H2:
  2S: 0
  Charge: 0
  R: true
H2O:
  2S: 0
  Charge: 0
  R: true
H2S:
  2S: 0
  Charge: 0
  R: true
HS:
  2S: 1
  Charge: 0
  R: false
N2H:
  2S: 1
  Charge: 0
  R: false
N2H2:
  2S: 0
  Charge: 0
  R: true
NH:
  2S: 2
  Charge: 0
  R: false
NH2:
  2S: 1
  Charge: 0
  R: false
NH3:
  2S: 0
  Charge: 0
  R: true
O:
  2S: 2
  Charge: 0
  R: false
PH2:
  2S: 1
  Charge: 0
  R: false
PH3:
  2S: 0
  Charge: 0
  R: true
RKT01:
  2S: 1
  Charge: 0
  R: false
RKT02:
  2S: 1
  Charge: 0
  R: false
RKT03:
  2S: 1
  Charge: 0
  R: false
RKT04:
  2S: 1
  Charge: 0
  R: false
RKT05:
  2S: 1
  Charge: 0
  R: false
RKT06:
  2S: 1
  Charge: 0
  R: false
RKT07:
  2S: 1
  Charge: 0
  R: false
RKT08:
  2S: 1
  Charge: 0
  R: false
RKT09:
  2S: 1
  Charge: 0
  R: false
RKT10:
  2S: 1
  Charge: 0
  R: false
RKT11:
  2S: 2
  Charge: 0
  R: false
RKT12:
  2S: 1
  Charge: 0
  R: false
RKT13:
  2S: 1
  Charge: 0
  R: false
RKT14:
  2S: 2
  Charge: 0
  R: false
RKT15:
  2S: 1
  Charge: 0
  R: false
RKT16:
  2S: 1
  Charge: 0
  R: false
RKT17:
  2S: 2
  Charge: 0
  R: false
RKT18:
  2S: 2
  Charge: 0
  R: false
RKT19:
  2S: 2
  Charge: 0
  R: false
RKT20:
  2S: 1
  Charge: 0
  R: false
RKT21:
  2S: 1
  Charge: 0
  R: false
RKT22:
  2S: 0
  Charge: 0
  R: true
c2h4:
  2S: 0
  Charge: 0
  R: true
c2h5_34:
  2S: 1
  Charge: 0
  R: false
c2h5ts:
  2S: 1
  Charge: 0
  R: false
c3h7:
  2S: 1
  Charge: 0
  R: false
c3h7ts:
  2S: 1
  Charge: 0
  R: false
ch3:
  2S: 1
  Charge: 0
  R: false
ch3cl:
  2S: 0
  Charge: 0
  R: true
ch3f:
  2S: 0
  Charge: 0
  R: true
ch3fclts:
  2S: 1
  Charge: 0
  R: false
ch3oh:
  2S: 0
  Charge: 0
  R: true
cl:
  2S: 1
  Charge: 0
  R: false
cl-:
  2S: 0
  Charge: -1
  R: true
clch3clcomp:
  2S: 0
  Charge: -1
  R: true
clch3clts:
  2S: 0
  Charge: -1
  R: true
clf:
  2S: 0
  Charge: 0
  R: true
co:
  2S: 0
  Charge: 0
  R: true
f:
  2S: 1
  Charge: 0
  R: false
f-:
  2S: 0
  Charge: -1
  R: true
f2:
  2S: 0
  Charge: 0
  R: true
fch3clcomp1:
  2S: 0
  Charge: -1
  R: true
fch3clcomp2:
  2S: 0
  Charge: -1
  R: true
fch3clts:
  2S: 0
  Charge: -1
  R: true
fch3fcomp:
  2S: 0
  Charge: -1
  R: true
fch3fts:
  2S: 0
  Charge: -1
  R: true
h:
  2S: 1
  Charge: 0
  R: false
hch3clts:
  2S: 1
  Charge: 0
  R: false
hcl:
  2S: 0
  Charge: 0
  R: true
hclhts:
  2S: 1
  Charge: 0
  R: false
hcn:
  2S: 0
  Charge: 0
  R: true
hcnts:
  2S: 0
  Charge: 0
  R: true
hco:
  2S: 1
  Charge: 0
  R: false
hcots:
  2S: 1
  Charge: 0
  R: false
hf:
  2S: 0
  Charge: 0
  R: true
hf2ts:
  2S: 1
  Charge: 0
  R: false
hfch3ts:
  2S: 1
  Charge: 0
  R: false
hfhts:
  2S: 1
  Charge: 0
  R: false
hn2:
  2S: 1
  Charge: 0
  R: false
hn2ts:
  2S: 1
  Charge: 0
  R: false
hnc:
  2S: 0
  Charge: 0
  R: true
hoch3fcomp1:
  2S: 0
  Charge: -1
  R: true
hoch3fcomp2:
  2S: 0
  Charge: -1
  R: true
hoch3fts:
  2S: 0
  Charge: -1
  R: true
n2:
  2S: 0
  Charge: 0
  R: true
n2o:
  2S: 0
  Charge: 0
  R: true
n2ohts:
  2S: 1
  Charge: 0
  R: false
oh:
  2S: 1
  Charge: 0
  R: false
oh-:
  2S: 0
  Charge: -1
  R: true