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

Title Card Required

0 1
P          1.33511       -1.13122        0.15212
C          0.23081       -2.11098        1.40751
C         -1.21112       -1.85628        0.91343
H         -1.93745       -2.30639        1.62468
H         -1.42534       -0.77119        0.84126
H         -1.39869       -2.30119       -0.08304
C          0.43625       -3.62630        1.55804
H          0.26570       -4.17066        0.60944
H         -0.29539       -4.02219        2.29648
H          1.44424       -3.89349        1.92934
C          0.38484       -1.43557        2.78351
H         -0.39715       -1.82319        3.47179
H          0.25642       -0.33694        2.71867
H          1.37117       -1.63107        3.24517
C          1.85738       -2.29994       -1.29131
C          2.64308       -1.38498       -2.25057
H          3.59904       -1.05441       -1.79992
H          2.88544       -1.94371       -3.18059
H          2.06761       -0.47913       -2.52678
C          2.74371       -3.49855       -0.92731
H          3.68621       -3.17582       -0.44316
H          3.02034       -4.04589       -1.85536
H          2.24025       -4.22014       -0.25867
C          0.57498       -2.76970       -1.99998
H          0.84116       -3.27797       -2.95190
H         -0.08871       -1.91588       -2.24707
H         -0.00378       -3.49316       -1.39265
C          2.96367       -0.87711        1.02073
C          3.55968       -1.84978        1.85570
C          4.78879       -1.63030        2.49171
H          5.21937       -2.41010        3.13843
C          5.46639       -0.41947        2.28892
H          6.43424       -0.23201        2.77853
C          4.90279        0.55321        1.45423
H          5.42713        1.50658        1.28700
H          3.05294       -2.81221        2.00680
C          3.65467        0.35384        0.82069
C          3.16689        1.45102       -0.07725
C          2.07405        2.29339        0.26012
C          1.28337        2.09845        1.52467
H          0.49857        1.32821        1.35933
H          1.91632        1.73946        2.35969
H          0.78103        3.03519        1.83505
C          1.72814        3.33227       -0.62737
H          0.88150        3.98733       -0.36643
C          2.43553        3.55690       -1.81587
H          2.13742        4.37641       -2.48755
C          3.53363        2.74377       -2.13148
H          4.11126        2.91555       -3.05236
C          3.89499        1.70915       -1.25931
H          4.75938        1.06994       -1.49645

