%nprocs=48
%mem=350GB
%chk=3f-pcy2tbu-99-lig.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
P          1.23801       -1.11177       -0.12347
C          2.67419        0.12006       -0.01223
C          2.14020        1.51137        0.38842
C          3.24702        2.57502        0.42249
H          2.81421        3.56029        0.69710
H          3.97296        2.31776        1.22683
C          3.98867        2.66373       -0.91485
H          4.80891        3.41026       -0.86007
H          3.28580        3.02582       -1.69881
C          4.53263        1.29104       -1.32258
H          5.31579        0.97808       -0.59537
H          5.03160        1.34540       -2.31329
H          1.64334        1.46775        1.37745
H          1.35430        1.81527       -0.33970
H          3.39269       -0.21748        0.76847
C          3.42613        0.22659       -1.35450
H          2.69254        0.47449       -2.15490
H          3.86916       -0.74959       -1.63390
C          0.60288       -1.19158        1.66422
C          1.61123       -1.06169        2.81890
H          2.43448       -1.79526        2.70174
H          2.08681       -0.05697        2.79097
C          0.93310       -1.25159        4.18547
H          1.67491       -1.11845        5.00151
H          0.56630       -2.30019        4.26532
C         -0.24912       -0.29234        4.36963
H          0.13123        0.75429        4.39307
C         -1.25974       -0.43359        3.22462
H         -1.71212       -1.45071        3.26219
H         -2.09693        0.28499        3.35190
H         -0.74171       -0.46656        5.34950
H          0.17246       -2.21551        1.71734
C         -0.59238       -0.23221        1.85686
H         -0.25192        0.82274        1.77299
H         -1.32362       -0.38166        1.03547
C          2.10478       -2.82490       -0.37390
C          2.17564       -3.03725       -1.90149
H          2.79692       -2.27430       -2.40867
H          1.16544       -2.99708       -2.35596
H          2.61739       -4.03287       -2.12586
C          1.19323       -3.92220        0.20463
H          0.14035       -3.80220       -0.12703
H          1.54121       -4.91686       -0.14835
H          1.20797       -3.94458        1.31242
C          3.50705       -2.95696        0.23908
H          4.22527       -2.22692       -0.18236
H          3.91477       -3.97128        0.03333
H          3.49508       -2.82441        1.33877

