%nprocs=48
%mem=350GB
%chk=3h-ruphos-16-t2-h2o.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.68375       -0.06656        0.35361
O          0.70356       -1.91720       -0.76868
H          0.02040       -1.84583       -1.49441
B          1.35118       -3.15355       -0.66370
O          2.21322       -3.46569        0.32126
O          1.01620       -4.06986       -1.64831
O          0.64840        1.68786        1.28504
H          1.36251        2.18914        0.84470
O          2.52840       -1.67685        2.23819
H          3.30694       -1.14582        1.96565
H          1.79491       -1.07448        1.91347
C          2.61410        0.31895       -0.14814
C          3.46296        1.04454        0.69237
C          3.16335       -0.20109       -1.36245
C          4.48766        0.01772       -1.71292
C          5.36277        0.76295       -0.86917
C          4.83487        1.28429        0.36756
C          5.70256        2.02319        1.22535
C          7.02877        2.24254        0.88095
C          7.54741        1.72939       -0.33908
C          6.72920        1.00475       -1.19430
H          2.52347       -0.79194       -2.03253
H          4.88564       -0.39109       -2.65649
H          3.07756        1.46159        1.63922
H          8.60115        1.90818       -0.60227
H          7.12646        0.60315       -2.14023
H          5.29714        2.41954        2.17003
H          7.68504        2.81613        1.55348
H          2.36243       -2.77374        1.04789
H          1.48862       -4.90577       -1.48578
P         -1.54064       -0.52480        1.16516
C         -1.98262       -2.33277        1.49061
C         -2.36438       -3.06749        0.19142
C         -2.69725       -4.54353        0.44098
H         -2.93794       -5.03749       -0.52442
H         -3.61521       -4.61560        1.06760
C         -1.54239       -5.26353        1.14514
H         -1.79662       -6.32813        1.33140
H         -0.65584       -5.25983        0.47200
C         -1.18446       -4.55558        2.45634
H         -2.04275       -4.63676        3.16143
H         -0.32393       -5.05400        2.94915
H         -3.21336       -2.55858       -0.30574
H         -1.51344       -3.00774       -0.51390
H         -2.87542       -2.31188        2.15847
C         -0.84970       -3.07492        2.22581
H          0.07991       -3.01193        1.62562
H         -0.62298       -2.58603        3.19315
C         -1.90350        0.33556        2.79909
C         -0.70775        0.22068        3.76744
C         -0.97884        0.95798        5.08626
H         -0.09231        0.86984        5.74906
H         -1.82223        0.46671        5.62399
C         -1.32562        2.43027        4.84067
H         -1.54029        2.94782        5.79971
H         -0.44349        2.93827        4.39153
C         -2.51397        2.55325        3.88054
H         -3.42373        2.13254        4.36759
H         -2.74081        3.62125        3.67389
H         -0.46238       -0.83990        3.97478
H          0.17323        0.67141        3.26264
H         -2.78564       -0.18626        3.24119
C         -2.25435        1.81718        2.56012
H         -1.39501        2.27283        2.02408
H         -3.13479        1.90807        1.89401
C         -2.98172        0.01353        0.13301
C         -4.28844       -0.25552        0.60001
C         -5.41922        0.15503       -0.11405
H         -6.42556       -0.06774        0.27196
C         -5.25736        0.85813       -1.31861
H         -6.13614        1.19436       -1.88971
C         -3.96937        1.13421       -1.78940
H         -3.83299        1.69153       -2.72841
H         -4.42356       -0.79529        1.55016
C         -2.81752        0.71474       -1.08524
C         -1.49858        1.07564       -1.68969
C         -0.77921        0.17674       -2.50118
O         -1.19382       -1.15200       -2.50828
C         -1.50030       -1.76420       -3.79813
C         -2.65639       -1.02568       -4.45978
H         -2.88393       -1.47906       -5.44483
H         -3.56263       -1.07941       -3.82381
H         -2.40737        0.04163       -4.62298
C         -1.79393       -3.22926       -3.51687
H         -0.93935       -3.71761       -3.00837
H         -1.98618       -3.76103       -4.46941
H         -2.69366       -3.32600       -2.87665
H         -0.59281       -1.68749       -4.44005
C          0.37269        0.56966       -3.20343
H          0.91739       -0.15651       -3.82192
C          0.83799        1.87977       -3.05437
C          0.16779        2.79513       -2.23179
H          0.56831        3.81010       -2.12018
H          1.75958        2.19100       -3.56749
C         -1.00677        2.40400       -1.55580
O         -1.74120        3.20722       -0.74850
C         -1.37060        4.58741       -0.55892
C         -1.82397        5.42365       -1.75485
H         -1.52839        6.48357       -1.62232
H         -1.38035        5.05909       -2.70184
H         -2.92773        5.37841       -1.85053
H         -0.26457        4.64270       -0.44542
C         -2.01632        5.02476        0.74827
H         -3.11565        4.89023        0.69793
H         -1.63031        4.42453        1.59262
H         -1.80078        6.09354        0.94322

