%chk=conf02_pent_a_def2svp.chk
%mem=120GB
%nprocshared=24
#p opt freq=noraman b3lyp scrf=(smd,solvent=acetonitrile) pop=full def2svp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=save

-5.03326653

0 2
 C                  1.94943900    0.49018700   -0.10146900
 H                  1.98303900    0.42179000   -1.19432800
 H                  1.24683500    1.29211300    0.15821100
 C                  1.44276500   -0.83180800    0.48098700
 C                  1.12175600   -0.79773800    1.91539100
 H                  0.81080700    0.13372500    2.37872900
 H                  1.08981000   -1.71014100    2.50066900
 H                  2.12543400   -1.65785400    0.23857900
 S                 -0.07906300   -1.40510700   -0.48630900
 C                 -1.31640800   -0.13797100   -0.20576800
 O                  0.25479600   -1.41843900   -1.93368800
 O                 -0.55500600   -2.66550700    0.13743600
 C                 -1.44175900    0.90547900   -1.12588500
 C                 -2.09383400   -0.19704600    0.95405800
 C                 -2.37698600    1.91222300   -0.87685800
 H                 -0.82500500    0.92639800   -2.01793400
 C                 -3.02225500    0.81858700    1.19230400
 H                 -1.98225700   -1.02161800    1.64997600
 C                 -3.16248900    1.86965000    0.27976700
 H                 -2.49046200    2.72738000   -1.58574000
 H                 -3.63701300    0.78559100    2.08719900
 H                 -3.88748900    2.65631700    0.46945000
 C                  3.34724700    0.84098100    0.42658100
 H                  3.31921900    0.90730700    1.52213200
 H                  4.04000800    0.02515700    0.17823100
 C                  3.86555800    2.15695000   -0.15732300
 H                  3.20132600    2.99187700    0.10124900
 H                  4.86595000    2.39257800    0.22598200
 H                  3.92829200    2.10569100   -1.25214800

