%mem=120GB
%nproc=28
#p opt=(TS,Cartes,CalcFC,NoEigenTest) B3LYP gen pseudo=read freq=NoRaman scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 4
23             -0.137947   -0.853325    1.081220
 8              1.050290   -0.180640    1.868756
 7             -0.693695    0.864621   -0.027041
 8             -1.737409   -1.906635   -0.204201
 1             -2.475270   -2.222050    0.341166
 1             -1.387866   -2.682862   -0.676422
 8              0.961175   -1.447508   -0.552919
 8              0.085950   -2.849235    1.778799
 1             -0.077232   -2.954766    2.730922
 1              0.916729   -3.307317    1.547899
 8              2.386315   -2.478195   -2.258866
16              1.444689   -2.735517   -1.177393
 8              0.235267   -3.590866   -1.572271
 8              1.962363   -3.686499   -0.095499
17             -1.845741   -0.763556    2.699481
 6             -0.624786    0.800128   -1.499380
 1              0.339497    0.400797   -1.805393
 1             -1.411594    0.137884   -1.869643
 1             -0.762464    1.793694   -1.937834
 6             -1.779127    1.775912    0.446428
 1             -1.446954    2.806865    0.270772
 1             -1.877197    1.637676    1.522611
 6             -3.108892    1.568556   -0.254295
 6             -3.499020    2.434203   -1.285713
 6             -3.964456    0.516588    0.101813
 6             -4.709850    2.248454   -1.956629
 6             -5.175154    0.328371   -0.567028
 6             -5.549921    1.190477   -1.601568
 1             -2.849465    3.260438   -1.563326
 1             -3.682259   -0.145714    0.911776
 1             -4.996325    2.930100   -2.752723
 1             -5.829122   -0.489456   -0.276262
 1             -6.492531    1.042978   -2.121364
 8              0.803192    3.507114    1.144701
 6              1.257150    2.544983    0.578634
 1              0.391965    1.613979    0.275907
 6              2.646001    2.323933    0.154971
 6              3.015481    1.120188   -0.464368
 6              3.597480    3.339912    0.370529
 1              2.284846    0.335951   -0.612003
 6              4.335479    0.932504   -0.869310
 1              4.623895    0.001892   -1.348319
 6              5.280107    1.940736   -0.656830
 1              6.308552    1.792551   -0.973475
 6              4.911743    3.142670   -0.037274
 1              5.651702    3.920632    0.124621
 1              3.291765    4.263609    0.851557

-H C N Cl O S 0
6-31g(d,p)
****
-V 0
SDD
F 1 1.0
1.751 1.0
****

V 0
SDD












