%nprocs=48
%mem=350GB
%chk=3i-pad3-99-lig.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
P         -1.03525        0.73261        1.71524
C         -2.33488        1.65846        0.60711
C         -1.67369        1.79915       -0.79742
H         -0.75880        2.41535       -0.74517
H         -1.35472        0.79339       -1.14489
C         -2.64392        2.43425       -1.81435
C         -3.87482        1.52993       -1.98596
H         -3.56685        0.53636       -2.37682
C         -4.56390        1.37209       -0.62118
H         -4.57976        1.96712       -2.72616
C         -3.58059        0.75522        0.39576
H         -3.25699       -0.24737        0.04272
H         -4.12037        0.60652        1.35039
C         -5.02600        2.74971       -0.11275
H         -5.44023        0.69548       -0.71781
C         -2.82634        3.04847        1.07912
C         -3.08681        3.81951       -1.30595
H         -2.11826        2.54363       -2.78727
C         -3.79992        3.66553        0.05057
H         -3.76616        4.29910       -2.04360
H         -2.20441        4.48739       -1.19855
H         -1.97025        3.73739        1.21795
H         -3.32787        2.96521        2.06416
H         -4.12382        4.66321        0.41796
H         -5.55366        2.64202        0.85990
H         -5.75092        3.19844       -0.82601
C          0.22395        2.06241        2.36387
C         -0.24263        3.00692        3.49806
H         -1.11587        3.60414        3.16757
H         -0.57456        2.42280        4.37875
C          0.89979        3.95253        3.93115
H          0.53074        4.60824        4.74915
C          1.33894        4.81409        2.73388
H          2.13854        5.52266        3.04068
H          0.48494        5.42699        2.37175
C          1.84667        3.89427        1.60861
H          2.14262        4.50646        0.72957
C          3.05309        3.08390        2.10888
C          2.60513        2.21588        3.29552
H          3.45912        1.60453        3.65856
H          3.44728        2.44070        1.29298
H          3.87681        3.76566        2.41330
C          2.09430        3.12014        4.43347
H          1.78772        2.50177        5.30517
H          2.90824        3.79090        4.78453
C          0.71342        2.93886        1.17896
H         -0.11766        3.54873        0.77645
H          1.06851        2.28403        0.35457
C          1.47535        1.26736        2.84478
H          1.21977        0.59486        3.68250
H          1.82620        0.61622        2.01597
C         -1.98398        0.03164        3.25805
C         -0.96606       -0.35596        4.36519
H         -0.17650       -1.00697        3.93230
H         -0.46323        0.54545        4.76455
C         -1.65357       -1.08268        5.54023
H         -0.88421       -1.31817        6.30684
C         -2.30789       -2.38146        5.04261
H         -2.79924       -2.91389        5.88585
H         -1.53561       -3.06616        4.63084
C         -3.33531       -2.02994        3.95497
H         -3.80449       -2.95904        3.56573
C         -4.42028       -1.10984        4.54620
C         -3.76777        0.18377        5.06865
H         -4.54774        0.84811        5.49943
H         -5.17978       -0.86715        3.77131
H         -4.95534       -1.62918        5.37062
C         -2.72786       -0.16303        6.14885
H         -2.25971        0.76661        6.53962
H         -3.21914       -0.66466        7.01059
C         -2.62759       -1.30858        2.78969
H         -1.83372       -1.95633        2.36049
H         -3.35940       -1.13545        1.98109
C         -3.07596        0.92102        3.90077
H         -2.63408        1.86922        4.26694
H         -3.84178        1.19901        3.15042

