%nprocshared=8
%mem=12GB
#p opt=(calcfc,ts,modredundant,noeigentest,maxstep=2) freq=noraman wb97xd/6-31+g(d)
scrf=(solvent=dichloromethane) guess=always

Title Card Required

0 1
 C                 -0.76626500    0.29297700   -0.14275900
 N                 -1.99379400    0.53873700    0.34813700
 N                  0.18700900    1.17341800   -0.21161600
 H                 -2.06563000    1.42729700    0.83302300
 S                 -0.71470900   -2.43068800    0.20581400
 O                  0.03940700   -3.41824300   -0.53154600
 O                 -2.11197200   -2.58478300    0.52195800
 C                  0.14977500   -2.19474400    1.85354500
 N                 -0.43723900   -0.99243400   -0.60352200
 H                  0.47359400   -1.02175400   -1.07414200
 F                  1.43608300   -1.96142000    1.65787000
 F                 -0.39709500   -1.16605900    2.49510500
 F                 -0.00822400   -3.30068200    2.56679100
 S                  3.69253600    0.31835600   -0.52217700
 O                  4.68686200    1.21125700   -1.11428800
 O                  3.45084400    0.36483100    0.91572600
 C                  4.41444900   -1.37593500   -0.81592300
 N                  2.30121700    0.28190900   -1.29608100
 H                  1.27982600    0.79668400   -0.66780700
 H                  2.41314500    0.59197800   -2.25987200
 F                  3.60665000   -2.32984400   -0.35225900
 F                  4.59571900   -1.57549000   -2.12597300
 F                  5.59496000   -1.48330300   -0.20191900
 C                 -0.03293628    2.60770810    0.02362000
 C                  1.32171822    3.34012548    0.03233548
 H                  1.15599101    4.39689405    0.00636102
 H                  1.85931428    3.08515944    0.92165140
 H                  1.89106998    3.04721011   -0.82495044
 C                 -0.73133491    2.80392985    1.38205159
 H                 -1.75079892    3.08642297    1.22145654
 H                 -0.69775105    1.88898936    1.93581692
 H                 -0.23070552    3.57271306    1.93272625
 C                 -0.91961095    3.18165797   -1.09708941
 H                 -0.91809516    2.51178568   -1.93145672
 H                 -1.91988194    3.29899398   -0.73571673
 H                 -0.53692164    4.13297746   -1.40276917
 C                 -3.26849414   -0.01487921   -0.13097537
 C                 -4.25661228    1.13415124   -0.40474819
 H                 -3.95778484    1.65866050   -1.28820288
 H                 -5.23940343    0.73415444   -0.54267613
 H                 -4.25919790    1.80799080    0.42641579
 C                 -3.85575328   -0.95269625    0.94011095
 H                 -3.99557074   -1.92784235    0.52244943
 H                 -3.18223168   -1.01307073    1.76934167
 H                 -4.79748799   -0.56877551    1.27273778
 C                 -3.02851645   -0.80607120   -1.43021589
 H                 -2.07069534   -0.54952384   -1.83228825
 H                 -3.05772233   -1.85476214   -1.21975376
 H                 -3.79039405   -0.56365165   -2.14132439

B 18 19 B
B 3 19 B

stoichiometry=C11N4O4SF3H23
solventname=reactants_mix
eps=16.697
epsinf=2.1065



