%nprocs=48
%mem=350GB
%chk=3h-ptbu3-6cne12-etrxt.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.15800       -0.89168       -0.09707
O         -0.57784       -1.97149        1.39722
H         -0.24346       -1.46597        2.16646
H          1.83753       -3.16341        1.01818
H          3.64838       -2.45853       -2.19025
H          2.14362       -2.46992       -1.19609
C          3.24726       -2.59073       -1.16556
C          2.59654       -2.72145        1.68794
H          2.11403       -2.55458        2.67071
H          3.42027       -3.44911        1.83412
H          3.45862       -3.62988       -0.84499
H          3.35436       -0.43472        3.05528
C          3.15528       -1.41493        1.13809
C          3.91135       -1.55323       -0.23902
C          4.00553       -0.70778        2.20248
H          4.45398        0.22179        1.80314
O          1.42366        0.19901       -1.40078
O          3.78437       -0.24285       -0.80829
H          1.79687       -0.37623       -2.09731
H          5.93439       -1.06640        0.42904
B          2.57401        0.38120       -0.35479
C          5.40034       -1.87436       -0.10346
O          2.07857       -0.48974        0.80845
H          4.81432       -1.36511        2.57717
H          5.55846       -2.82851        0.43865
H          5.85223       -1.97232       -1.11033
P         -1.87895       -1.02793       -1.11834
H         -0.58133       -3.51223       -2.27080
H         -0.42987       -3.58366       -0.48307
C         -1.12101       -3.73630       -1.33375
H         -1.40554       -4.80976       -1.36006
H         -4.35780       -2.66241       -2.16754
H         -4.00011       -2.87189        0.40307
C         -3.42492       -3.25215       -2.24401
C         -2.40724       -2.90030       -1.14448
C         -3.00239       -3.31094        0.21878
H         -3.70248       -4.32051       -2.12099
H         -2.31304       -3.04429        1.04147
H         -3.02018       -3.14181       -3.26702
H         -3.13258       -4.41393        0.20659
H         -3.81724        0.44244        1.84212
H         -3.15138       -1.21579        1.66838
C         -3.04048       -0.17120        1.33808
C         -3.20667        0.02035       -0.18246
H         -1.89397        1.79328       -0.30330
C         -2.95473        1.51447       -0.46157
H         -3.25679        1.81875       -1.47988
H         -2.04614        0.17823        1.67295
H         -4.93664       -1.35778       -0.30301
C         -4.64901       -0.33134       -0.59448
H         -4.82879       -0.21441       -1.67826
H         -3.56660        2.10603        0.25108
H         -5.34022        0.36139       -0.06898
H         -0.14901        1.06405       -2.39046
H         -1.74873        1.82394       -2.68515
C         -1.07196        1.01125       -2.99439
H         -0.79521        1.21124       -4.05143
C         -1.74667       -0.37962       -2.94820
C         -0.82663       -1.35783       -3.70787
H         -0.60234       -0.92864       -4.70649
C         -3.09521       -0.26396       -3.68443
H         -3.73393        0.52829       -3.25049
H         -2.88746        0.03445       -4.73414
H         -3.67334       -1.20288       -3.71569
H         -1.28605       -2.34961       -3.87098
H          0.13671       -1.50798       -3.18135
H          0.54469        2.13756        0.47670
H          0.66856        4.54777        1.09256
C          1.51279        2.66512        0.43042
C          1.57284        4.00529        0.77347
H          2.01469        6.63368        1.37597
C          2.67358        1.93766        0.01632
C          2.81215        4.71194        0.71891
C          2.91499        6.08670        1.05823
C          3.88664        2.61949       -0.03550
C          3.99667        3.99883        0.30273
C          4.14385        6.75190        0.99252
H          4.79145        2.07547       -0.35334
C          5.23570        4.70468        0.24581
C          5.31884        6.04420        0.57911
H          6.13764        4.15920       -0.07271
H          6.27724        6.58033        0.53209
C          4.23184        8.14047        1.33645
N          4.30925        9.27939        1.61516

