! 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   6.5345378733  -1.6119001127   1.9593546812
N   -3.3140006069   1.0188202365   0.4903225874
N   -4.2485877587   0.0809723922   0.6749511636
N   -5.1155852250   1.8553581651  -0.3906863448
N   -2.1215901919  -2.3608315672  -0.6283586696
C   -1.1738381070   0.0587688179  -0.3332180066
C    0.3174473471  -0.1047142960   0.0450559430
C   -1.9327781025   0.7767232463   0.8103229506
C   -1.3456435278   0.8617786946  -1.6180333784
C    0.5892269220  -0.9803508955   1.2699069526
C    2.0687066734  -1.1517067436   1.4684862441
C   -1.7296782283  -1.2858330868  -0.5012091829
C   -0.6422634117   2.0548402487  -1.7757180844
C   -2.2658144863   0.4950485873  -2.5947404494
C    2.7801157424  -0.3210345473   2.3284143360
C    2.7686241542  -2.1248759828   0.7594808168
C   -0.8462053909   2.8530146636  -2.8910499828
C   -2.4709737198   1.2955008715  -3.7104490744
C   -3.8426772736   2.0578178140  -0.1598856741
C   -1.7617137846   2.4762784579  -3.8640637269
C    4.1524291909  -0.4539625066   2.4860070836
C    4.1394678653  -2.2734200628   0.9021753869
C   -5.3048132927   0.6310621219   0.1374661180
C    4.8205881644  -1.4323615138   1.7683353354
H    0.7351011221   0.8868918858   0.2240389389
H    0.8383213350  -0.5141800933  -0.8224552900
H   -1.8939525906   0.2024650300   1.7331506441
H   -1.4471171844   1.7338527930   0.9964716181
H    0.1256537861  -1.9619262036   1.1473511318
H    0.1525311955  -0.5335594852   2.1646610860
H    0.0670831461   2.3828808615  -1.0274384745
H   -2.8404619315  -0.4175584940  -2.5000898110
H    2.2594953065   0.4428697111   2.8928991420
H    2.2383546249  -2.7859825836   0.0844425813
H   -0.2876221045   3.7735217804  -2.9961800417
H   -3.1914027746   0.9912341155  -4.4579443101
H   -3.2768241458   2.9375915598  -0.4232826537
H   -1.9216613652   3.1004284903  -4.7331074424
H    4.6883061131   0.1976177669   3.1626845310
H    4.6654256383  -3.0374480750   0.3461252707
H   -6.2594660191   0.1290257214   0.1325979035
*