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

Title Card Required

0 1
P          1.15877       -0.44725        0.29304
C          0.22385        0.07001       -1.23531
C          0.60819       -0.31722       -2.53796
C         -0.11406        0.08772       -3.66889
H          0.21174       -0.23089       -4.67119
C         -1.25192        0.89357       -3.51460
H         -1.82837        1.21853       -4.39436
C         -1.64861        1.28765       -2.23148
H         -2.53821        1.92124       -2.09812
H          1.49224       -0.95660       -2.67767
C         -0.92328        0.89694       -1.08587
C         -1.40506        1.36139        0.24940
C         -0.67217        2.31935        0.99639
O          0.47289        2.75729        0.41126
C         -1.15473        2.77457        2.24256
H         -0.59450        3.51074        2.83165
C         -2.37221        2.28228        2.72760
H         -2.74573        2.63760        3.70017
C         -3.12965        1.35375        2.00266
H         -4.08121        0.98990        2.40943
C         -2.64777        0.90319        0.75565
O         -3.29037       -0.00926       -0.03045
C          2.87215       -0.79871       -0.41339
C          3.52611        0.50838       -0.89763
C          4.95156        0.27742       -1.41587
H          5.40210        1.24099       -1.73555
H          4.91099       -0.36458       -2.32490
C          5.82729       -0.40131       -0.35535
H          6.84557       -0.59579       -0.75349
H          5.95537        0.29215        0.50662
C          5.18703       -1.70345        0.14095
H          5.16153       -2.43855       -0.69506
H          5.80684       -2.16277        0.93997
H          2.89846        0.98949       -1.67574
H          3.56008        1.22264       -0.04498
H          2.79780       -1.49363       -1.28068
C          3.75561       -1.47766        0.65017
H          3.77974       -0.83580        1.56048
H          3.31312       -2.44589        0.96458
C          0.49153       -2.20131        0.56248
C         -0.94298       -2.11777        1.11219
C         -1.49453       -3.50127        1.48273
H         -2.54244       -3.40899        1.84187
H         -0.91006       -3.91717        2.33466
C         -1.41613       -4.47148        0.29728
H         -1.78537       -5.47770        0.58850
H         -2.09132       -4.11161       -0.51237
C          0.01374       -4.56040       -0.25029
H          0.67163       -5.01899        0.52265
H          0.05192       -5.23530       -1.13185
H         -0.97807       -1.43209        1.98456
H         -1.59680       -1.66268        0.33800
H          1.14388       -2.59099        1.37926
C          0.56360       -3.17394       -0.62250
H         -0.03256       -2.75797       -1.46419
H          1.60646       -3.27011       -0.99189
C          1.34851        3.66535        1.10321
C         -4.59296       -0.50359        0.32333
C          2.22890        4.28547        0.02505
C          2.15126        2.94314        2.18478
H          0.73115        4.46968        1.56669
C         -5.66641        0.53279       -0.00694
H         -4.60824       -0.73219        1.41406
C         -4.76715       -1.80294       -0.45342
H          1.60917        4.79203       -0.73987
H          2.82647        3.50037       -0.47943
H          2.92249        5.02626        0.46907
H          1.49064        2.44671        2.92090
H          2.80154        3.66075        2.72450
H          2.78569        2.15838        1.72837
H         -5.66605        0.74320       -1.09564
H         -5.48929        1.48550        0.52889
H         -6.67052        0.15840        0.27633
H         -3.98489       -2.53554       -0.17528
H         -4.68877       -1.61011       -1.54225
H         -5.75896       -2.24963       -0.24449

