%nprocs=48
%mem=350GB
%chk=3i-pad3-01-rxt.chk
# PBEPBE/def2SVP/W06 int=(grid=ultrafine)
# opt empiricaldispersion=GD3BJ 
# symmetry=none freq=noraman

Title Card Required

0 1
Pd         0.14380        1.14848       -1.41792
O         -1.12806        2.17235       -2.86310
O         -2.29951        4.12639       -2.02688
H         -0.68909        2.89248       -3.35617
B         -1.93306        2.78107       -1.71574
O         -0.88536        2.81251       -0.55636
O          0.97829       -0.07881       -2.73343
H          0.19793       -0.41362       -3.22104
C         -3.05243        1.71365       -1.25155
C         -3.47086        0.67990       -2.08827
C         -3.58984        1.74907        0.07510
C         -4.47217        0.78330        0.53517
C         -4.88601       -0.28926       -0.30924
C         -4.38355       -0.32897       -1.66191
C         -4.79652       -1.39517       -2.51594
C         -5.65476       -2.38500       -2.05945
C         -6.13811       -2.35189       -0.72265
C         -5.76285       -1.32406        0.13101
H         -3.26905        2.55444        0.75534
H         -4.85837        0.82212        1.56677
H         -3.06328        0.62061       -3.11058
H         -6.81421       -3.14462       -0.36767
H         -6.13934       -1.29299        1.16601
H         -4.41265       -1.42023       -3.54818
H         -5.96071       -3.20298       -2.72942
H         -0.35263        3.62683       -0.65907
H         -3.26077        4.24427       -1.96594
P          1.02884       -0.07809        0.29366
C          0.91011        0.90045        1.96787
C          1.88131        2.10861        1.87414
H          2.92478        1.76620        1.74573
H          1.62700        2.71415        0.97822
C          1.81375        2.97824        3.14480
C          0.39252        3.53500        3.32119
H          0.11822        4.16653        2.44918
C         -0.58456        2.35538        3.44299
H          0.33995        4.18203        4.22342
C         -0.51779        1.48748        2.16881
H         -0.80588        2.09124        1.29143
H         -1.26744        0.68539        2.25915
C         -0.22300        1.50698        4.67392
H         -1.62328        2.73755        3.54064
C          1.25191        0.06192        3.22753
C          2.19518        2.11513        4.36190
H          2.53839        3.81340        3.03609
C          1.19896        0.94842        4.49352
H          2.18526        2.73055        5.28696
H          3.22996        1.72552        4.24491
H          2.24948       -0.40764        3.14926
H          0.51644       -0.75961        3.34025
H          1.47189        0.32037        5.36847
H         -0.94874        0.67328        4.79052
H         -0.28041        2.11893        5.60007
C          2.89410       -0.44258       -0.10858
C          3.46527        0.82251       -0.81629
H          2.85833        1.03042       -1.72000
H          3.39018        1.71218       -0.16405
C          4.94094        0.60685       -1.21019
H          5.31458        1.53953       -1.68421
C          5.03760       -0.55961       -2.20694
H          6.09253       -0.71267       -2.52255
H          4.44865       -0.32897       -3.11903
C          4.49161       -1.83002       -1.53469
H          4.52662       -2.67770       -2.25199
C          5.33389       -2.16380       -0.29196
C          5.23954       -0.99438        0.70249
H          5.83284       -1.22467        1.61346
H          4.96493       -3.09918        0.18242
H          6.39392       -2.34082       -0.57559
C          5.77538        0.29037        0.04423
H          5.72487        1.13740        0.76302
H          6.84524        0.16161       -0.22747
C          3.02016       -1.61474       -1.12340
H          2.39711       -1.37554       -2.00730
H          2.64650       -2.55655       -0.67878
C          3.76893       -0.77897        1.12543
H          3.74058        0.03979        1.86943
H          3.38971       -1.69034        1.63115
C          0.04166       -1.73505        0.45319
C         -0.25167       -2.29384       -0.96707
H         -0.83352       -1.53545       -1.52964
H          0.67997       -2.45597       -1.53462
C         -1.05665       -3.60582       -0.88452
H         -1.20950       -3.98314       -1.91819
C         -2.41601       -3.32663       -0.22566
H         -3.02493       -4.25477       -0.17327
H         -2.99329       -2.59745       -0.82829
C         -2.17201       -2.77283        1.18503
H         -3.14449       -2.52868        1.66275
C         -1.41306       -3.81444        2.02644
C         -0.05496       -4.10539        1.36230
H          0.50699       -4.85075        1.96516
H         -1.25850       -3.43752        3.06117
H         -2.00743       -4.74975        2.10810
C         -0.27779       -4.64720       -0.06115
H          0.69981       -4.86688       -0.54290
H         -0.84155       -5.60399       -0.02153
C         -1.33685       -1.47621        1.11660
H         -1.89028       -0.69185        0.55919
H         -1.19807       -1.11753        2.15351
C          0.78229       -2.80881        1.29323
H          1.76974       -3.04383        0.85303
H          0.97011       -2.43663        2.31896

