! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -3.9887034311   1.5077500936  -2.9359431302
O    1.7908781148   1.4648807137  -0.2096257502
O    1.6499724523  -1.6712976373   2.4791822013
N    1.6451709712  -0.6813278677   0.4334790180
N    1.6512297652  -3.0131384229   0.6481245359
N    2.4497674999  -4.8456820973  -0.2738373903
C    1.7483308593   0.7063662847   0.9746631636
C    1.2236089814  -0.6475033549  -0.9964446736
C    0.9115007184   0.8491489299  -1.1181550799
C    0.4998934174   1.0518367636   1.8024756798
C    3.0403794062   0.9604525580   1.7241915077
C    2.3544523161  -1.0112681438  -1.9518975291
C   -0.0356310152  -1.4478973177  -1.2968713717
C    0.2978908104   2.5487151758   2.0385528531
C    1.6401178099  -1.7247433991   1.2648798870
C   -1.1849039027   2.9084146919   2.2043053115
C   -1.9608604600   2.6033691417   0.9533910553
C    0.6784976004  -3.9717935163   0.7917874162
C    2.7002451029  -3.6007943697   0.0164523720
C   -2.7753374931   1.4780548605   0.8619011383
C   -1.8050350345   3.3934036259  -0.1843408974
C    1.1850662865  -5.0846458170   0.1979432105
C   -3.4040172963   1.1324771932  -0.3264728057
C   -2.4286956092   3.0701636464  -1.3791840305
C   -3.2197515657   1.9331327343  -1.4406470972
H    1.1079183973   1.2305974447  -2.1196825905
H   -0.1383934890   1.0586898148  -0.8746805440
H    0.5479503643   0.5354225202   2.7597996169
H   -0.3723971061   0.6385314375   1.2905041806
H    3.0684860429   0.4280968797   2.6707626647
H    3.1279465318   2.0248237382   1.9458192584
H    3.9067149826   0.6674322576   1.1312102158
H    2.6051362294  -2.0692366959  -1.9184308186
H    3.2570116755  -0.4360845187  -1.7445382738
H    2.0446402261  -0.7922022474  -2.9742907071
H   -0.8019512008  -1.2941295375  -0.5349083968
H   -0.4466045917  -1.1015453918  -2.2467805705
H    0.1462202112  -2.5152541640  -1.4029606125
H    0.8428852914   2.8690434577   2.9290781426
H    0.6981022226   3.1323998390   1.2078095946
H   -1.2649606415   3.9708096831   2.4450215786
H   -1.6093640510   2.3606627597   3.0489806110
H   -0.2681257990  -3.7681406558   1.2628543401
H    3.6287245033  -3.0824587316  -0.1622162826
H   -2.9173757464   0.8471575963   1.7309724788
H   -1.1782740751   4.2764034602  -0.1451216263
H    0.7057492555  -6.0429599118   0.0806154240
H   -4.0246448699   0.2482470367  -0.3772105188
H   -2.2926270691   3.6944358584  -2.2517442910
*