%nprocs=48
%mem=350GB
%chk=3w-tbuxphos-61-t3ob-2h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.03278        0.94979       -0.34317
O          0.23637        2.93227        0.21154
H          1.04700        3.19651       -1.15654
B          0.73177        3.61643        1.26929
O          1.66052        3.32445       -1.96487
O          1.44794        4.79766        1.09156
O          0.19485       -0.55190       -1.88546
H          0.83025       -1.23097       -1.56787
O          1.23689        1.21854       -3.52585
H          0.65456        0.03868       -2.57958
H          0.67154        1.48608       -4.27178
C          2.02736        0.80031       -0.05156
C          2.95615        0.43287       -1.02467
C          2.50034        1.02433        1.27957
C          3.83483        0.84003        1.61276
C          4.79484        0.44009        0.63767
C          4.34109        0.24590       -0.71578
C          5.28819       -0.14902       -1.70627
C          6.62045       -0.35442       -1.37650
C          7.06548       -0.16852       -0.03935
C          6.16941        0.22411        0.94522
H          1.80121        1.35707        2.05819
H          4.16979        1.00825        2.64945
H          2.67278        0.27793       -2.07650
H          8.12417       -0.33448        0.21167
H          6.50884        0.37310        1.98258
H          4.93946       -0.29441       -2.74118
H          7.33826       -0.66316       -2.15187
H          1.35548        2.06984       -2.96823
H          1.58238        4.95157        0.13776
O          0.51412        3.20350        2.58166
H          0.96500        3.80556        3.19943
H          2.50926        2.98859       -1.61217
P         -2.46395        0.91313       -0.47110
C         -3.25300        2.28945        0.63143
C         -2.60828        2.09713        2.01407
H         -2.93056        1.14344        2.47734
H         -1.50578        2.12347        1.96766
H         -2.93287        2.92040        2.68545
C         -4.77817        2.28706        0.82313
H         -5.34579        2.37135       -0.12194
H         -5.03912        3.17446        1.43898
H         -5.13189        1.39628        1.37525
C         -2.81593        3.64554        0.04519
H         -3.36040        3.89259       -0.88719
H         -3.05422        4.44154        0.78282
H         -1.72443        3.66813       -0.13838
C         -3.32950       -0.65454        0.08927
C         -4.74288       -0.68814       -0.00210
C         -5.50867       -1.76255        0.46447
C         -4.86616       -2.85236        1.06423
C         -3.46972       -2.86197        1.12847
C         -2.67361       -1.80478        0.62469
C         -1.19192       -2.05599        0.64023
C         -0.39168       -1.64826        1.74596
C         -1.03652       -1.06639        2.99927
C         -0.22667        0.03242        3.69412
H         -0.79103        0.42281        4.56536
H          0.73976       -0.35085        4.08242
H         -0.01603        0.88911        3.02827
C         -1.34102       -2.21222        3.98590
H         -1.98619       -2.98867        3.53096
H         -1.85648       -1.82503        4.88901
H         -0.40127       -2.70476        4.31172
H         -2.00864       -0.62898        2.69480
C          0.98335       -1.93141        1.72904
H          1.61104       -1.58152        2.56197
C          1.59292       -2.64210        0.67963
C          3.09324       -2.89812        0.72196
C          3.43690       -3.94075        1.80279
H          4.53527       -4.06970        1.89041
H          3.04704       -3.64287        2.79640
H          2.99387       -4.92706        1.55095
C          3.70068       -3.29304       -0.62702
H          3.43364       -2.56922       -1.42226
H          3.36823       -4.30221       -0.94988
H          4.80638       -3.31287       -0.55912
H          3.55727       -1.93539        1.02789
C          0.76586       -3.12094       -0.35119
H          1.20548       -3.73320       -1.15193
C         -0.61993       -2.85329       -0.38897
C         -1.47108       -3.48185       -1.49295
H         -2.41340       -2.90048       -1.55583
C         -0.82110       -3.46198       -2.88564
H         -0.50168       -2.44277       -3.17194
H          0.06488       -4.12843       -2.93704
H         -1.54120       -3.82771       -3.64539
C         -1.83746       -4.93186       -1.11781
H         -2.38226       -4.98703       -0.15667
H         -0.92137       -5.55095       -1.02103
H         -2.47796       -5.38969       -1.89975
C         -3.03281        1.13946       -2.30624
C         -4.45388        1.67461       -2.54282
H         -5.24172        1.00077       -2.15736
H         -4.61760        1.75847       -3.63905
H         -4.60579        2.68269       -2.11340
C         -2.03611        2.12351       -2.95106
H         -2.08162        3.13024       -2.49641
H         -0.99256        1.76970       -2.86505
H         -2.28123        2.22955       -4.03052
C         -2.88884       -0.23911       -2.97590
H         -3.66114       -0.94975       -2.62204
H         -1.89409       -0.68069       -2.77884
H         -3.01009       -0.12638       -4.07488
H         -5.44447       -3.69931        1.46345
H         -6.60448       -1.73706        0.36661
H         -5.26940        0.15740       -0.45526
H         -2.95264       -3.72797        1.56723

