%mem=120GB
%nproc=24
#p opt B3LYP gen pseudo=read freq=NoRaman scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 4
23       0.844653000      0.815071000     -0.477027000
8        0.895960000      0.981288000     -2.040749000
7       -0.823960000     -0.449369000     -0.418991000
8        0.893207000      0.390689000      1.793318000
1        0.746758000      1.212699000      2.287794000
1        1.738470000      0.020839000      2.105711000
8        2.013298000     -0.881964000     -0.396406000
8        2.508593000      1.986848000      0.063661000
1        2.459347000      2.923884000     -0.190886000
1        3.380708000      1.633233000     -0.202079000
8        3.844981000     -2.517662000     -0.290666000
16       3.392722000     -1.202139000      0.138237000
8        3.410446000     -0.992385000      1.659109000
8        4.361820000     -0.058650000     -0.179080000
17      -0.481322000      2.614694000      0.208825000
6       -0.882379000     -1.659168000      0.363033000
1        0.118579000     -1.952962000      0.672592000
1       -1.488193000     -1.473237000      1.261376000
1       -1.369951000     -2.465457000     -0.198262000
6       -1.982821000     -0.163580000     -1.257654000
1       -1.911788000     -0.853701000     -2.113451000
1       -1.875800000      0.851401000     -1.643484000
6       -3.311276000     -0.344657000     -0.548396000
6       -4.152808000     -1.420841000     -0.852077000
6       -3.693134000      0.569314000      0.444507000
6       -5.366039000     -1.580493000     -0.177173000
6       -4.902547000      0.407223000      1.121005000
6       -5.741465000     -0.668393000      0.811692000
1       -3.860163000     -2.131482000     -1.620596000
1       -3.038847000      1.404117000      0.680061000
1       -6.014953000     -2.416110000     -0.423883000
1       -5.192251000      1.121047000      1.887094000
1       -6.683900000     -0.792639000      1.337626000
8        7.350391290     -1.049377061      1.203556000
6        6.440214270     -0.651684023      1.905004180
1        5.444163257     -0.399106337      1.448413829
6        6.652136918     -0.493580023      3.422136975
1        5.696296014     -0.461474595      3.957343347
1        7.232616823     -1.327458425      3.832986621
1        7.192227855      0.431090035      3.655365908

-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












