%chk=triplet_test_ts_cl_complex_cf3_Phbutene_def2svp.chk
%mem=120GB
%nprocshared=24
#p opt=(calcall,ts,modredundant,noeigentest) b3lyp
scrf=(smd,solvent=acetonitrile) pop=full def2svp empiricaldispersion=gd3bj
gfinput iop(6/7=3) scf=save

Title Card Required

0 3 
 C                 -0.98096200    0.23658100   -1.05109500
 H                 -0.87895500   -0.19113100   -2.06024600
 H                 -0.83763000    1.32325500   -1.12084000
 C                  0.14498700   -0.32977900   -0.14353700
 H                  0.14732200   -1.42771400   -0.24892500
 H                 -0.04419600   -0.08151500    0.91037300
 C                  1.46201200    0.19085500   -0.56243000
 H                  1.73665100    0.08929100   -1.61873900
 C                  2.34465600    0.86740000    0.27062300
 H                  2.13288600    0.96841300    1.33467000
 H                  3.25219100    1.31661800   -0.13220000
 Cl                 1.01561100    3.00554300   -0.15179100
 C                 -2.34110300   -0.06898900   -0.47745900
 C                 -3.05196500   -1.22026600   -0.84772700
 C                 -2.90276200    0.79212600    0.48001000
 C                 -4.29868700   -1.50276200   -0.28008000
 H                 -2.62495700   -1.89901400   -1.59159200
 C                 -4.14725300    0.51194900    1.04998300
 H                 -2.35089700    1.68974200    0.77398400
 C                 -4.84973300   -0.63764400    0.67081300
 H                 -4.84280600   -2.40126600   -0.58301700
 H                 -4.57254900    1.19448100    1.79052100
 H                 -5.82459900   -0.85702100    1.11376400
 C                  3.09085600   -1.03475800    0.23360200
 F                  3.92568500   -0.84179300    1.25021600
 F                  2.35071800   -2.10133800    0.50486200
 F                  3.79269400   -1.23983000   -0.87102500

B 9 24 B

