%chk=sp_triplet_EDA_butene_Ph_b.chk
%mem=120GB
%nprocshared=24
#p ub3lyp scrf=(smd,solvent=acetonitrile) pop=full
def2tzvpp empiricaldispersion=gd3bj

Title Card Required

0 3
 C                  1.83417900    1.36463600   -0.55556100
 H                  2.24517900    2.19939300   -1.14658700
 H                  1.01280900    0.92591100   -1.13916700
 C                  1.25406300    1.93902400    0.76903600
 H                  2.08713500    2.39469400    1.33236200
 H                  0.85634300    1.11114500    1.37524400
 C                  0.20139400    2.96118300    0.53059700
 H                  0.50751000    3.92852000    0.11627300
 C                 -1.20532300    2.67316100    0.58606000
 H                 -1.50675900    1.86807600    1.26410800
 H                 -1.87025100    3.54044800    0.63250400
 S                 -3.15590100   -0.50671700    0.20160300
 O                 -3.13072800   -0.09678900    1.63019700
 O                 -4.15696900   -1.48760000   -0.28920000
 Cl                -1.78311100    1.88156300   -1.16910200
 C                 -1.46803700   -1.43158600   -0.04158500
 F                 -0.53436200   -0.78671300    0.63485700
 F                 -1.58918600   -2.66604300    0.41562500
 F                 -1.17064400   -1.45491300   -1.32864600
 C                  2.90411500    0.32880800   -0.31296400
 C                  4.19240100    0.71166100    0.09710900
 C                  2.62935400   -1.04017700   -0.45869300
 C                  5.17789600   -0.24504800    0.35371600
 H                  4.42506500    1.77450500    0.21124000
 C                  3.61348100   -2.00097700   -0.20366800
 H                  1.63416300   -1.35454600   -0.78099200
 C                  4.89111200   -1.60698100    0.20516700
 H                  6.17567600    0.07299900    0.66770900
 H                  3.38031500   -3.06195800   -0.32705300
 H                  5.66161200   -2.35638100    0.40364300


