%chk=ts_conf02_pent_a_def2svp.chk
%mem=120GB
%nprocshared=24
#p opt=(ts,noeigentest,calcall,modredundant) freq ub3lyp scrf=(smd,solvent=acetonitrile) pop=full
def2svp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=save

-5.03326653

0 2
 C                  2.07024900    0.39421200   -0.00834100
 H                  2.06145300    0.21761000   -1.09014900
 H                  1.38083700    1.22237100    0.19853500
 C                  1.60577600   -0.84463800    0.72306600
 C                  1.10109300   -0.75882800    2.02153900
 H                  0.74913700    0.19085800    2.41686200
 H                  0.96560900   -1.64495900    2.63436600
 H                  2.12518400   -1.76872700    0.45975700
 S                 -0.21581200   -1.46029400   -0.51424400
 C                 -1.38143400   -0.11700000   -0.23697300
 O                  0.12159200   -1.48010400   -1.97181900
 O                 -0.79081900   -2.69586000    0.09589700
 C                 -1.40417000    0.95971000   -1.12638300
 C                 -2.16384500   -0.13748800    0.92035900
 C                 -2.25512100    2.03407400   -0.85675300
 H                 -0.77789700    0.95427000   -2.01207300
 C                 -3.00759100    0.94528900    1.17815700
 H                 -2.12382800   -0.98403600    1.59770000
 C                 -3.05233300    2.02758900    0.29266900
 H                 -2.29213100    2.87497600   -1.54351500
 H                 -3.62985500    0.94112600    2.06858400
 H                 -3.70939400    2.86780000    0.49950300
 C                  3.49464700    0.79526300    0.41803600
 H                  3.50395700    0.99498200    1.49753600
 H                  4.17416300   -0.05075700    0.24696100
 C                  3.99460100    2.02413700   -0.34450300
 H                  3.34108500    2.88883400   -0.17040200
 H                  5.00821700    2.29948200   -0.02814400
 H                  4.01904100    1.83466600   -1.42547900

B 9 4 B

