%chk=DCE_triplet_EDA_Br_butene_Ph.chk
%mem=120GB
%nprocshared=24
#p opt freq=noraman b3lyp scrf=(smd,solvent=DiChloroEthane) pop=full def2svp
empiricaldispersion=gd3bj

Title Card Required

0 3
 C                 -1.92361200    1.42670500    0.31580700
 H                 -2.26007400    2.38814200    0.73671800
 H                 -1.14043400    1.03466500    0.98049900
 C                 -1.30091300    1.68699700   -1.08130300
 H                 -2.08983700    2.11645800   -1.72634200
 H                 -0.97820600    0.73955600   -1.53420400
 C                 -0.17890400    2.65466600   -1.03105500
 H                 -0.40655000    3.66262100   -0.66339900
 C                  1.12778200    2.36077300   -1.36158800
 H                  1.38910700    1.39513800   -1.80302500
 H                  1.87562600    3.15460300   -1.41574300
 S                  2.78512900   -0.94700700   -0.41248000
 O                  2.70574500   -0.75534400   -1.88679900
 O                  3.79348500   -1.87241900    0.16550000
 C                  1.11111200   -1.80707900    0.01264500
 F                  0.13495800   -1.18555900   -0.63296000
 F                  1.16366300   -3.07453600   -0.36819900
 F                  0.90181500   -1.74024800    1.31798400
 C                 -3.07659000    0.45583500    0.25164900
 C                 -4.33357800    0.86619700   -0.22298000
 C                 -2.90951500   -0.88487000    0.63238100
 C                 -5.39477000   -0.03787800   -0.31489600
 H                 -4.48086800    1.90863700   -0.52021700
 C                 -3.96996500   -1.79252700    0.54253000
 H                 -1.93811600   -1.21841500    1.00441600
 C                 -5.21588200   -1.37256300    0.06716800
 H                 -6.36695400    0.30050800   -0.68300100
 H                 -3.82131300   -2.83203500    0.84660000
 H                 -6.04557800   -2.08058700   -0.00334700
 Br                 1.89406800    1.66487000    1.01250100

