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

-4.99792273

0 2
 C                 -0.03623100    0.03151500    0.55063200
 H                 -0.78108600   -0.77379600    0.62502300
 H                 -0.03687200    0.56948700    1.51273600
 C                 -0.47880600    0.99689400   -0.55759900
 H                 -0.47053200    0.49651400   -1.53904800
 H                  0.25843300    1.82036400   -0.62429700
 C                 -1.80636200    1.65423000   -0.33204000
 H                 -2.03703600    1.94120900    0.69884400
 C                 -2.49918900    2.30050600   -1.34989700
 H                 -2.22796000    2.14238000   -2.39804000
 H                 -3.36678400    2.92590400   -1.12708300
 C                  1.33154900   -0.54933600    0.28812900
 C                  1.47508600   -1.72843300   -0.46107100
 C                  2.49163700    0.09646300    0.74505400
 C                  2.74101000   -2.25018000   -0.74388100
 H                  0.58057900   -2.24364600   -0.82309500
 C                  3.75973500   -0.42197600    0.46547500
 H                  2.39724000    1.01532500    1.33111400
 C                  3.88882600   -1.59802000   -0.28100000
 H                  2.83160000   -3.17161600   -1.32527400
 H                  4.65088100    0.09289500    0.83434500
 H                  4.87925700   -2.00606300   -0.49841300
 Cl                -3.31680200   -0.13851700   -0.27357200


