! 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  -5.6564498970   0.0732379617   0.4049785617
O    2.5104428741  -1.2784872562  -1.5526323632
O    0.0217965133  -1.0863849613  -0.4678645707
N    1.1168795180   0.9413589443  -0.1051303996
N    1.3918047999   1.3557421688  -1.3487762517
N    1.1469431343   3.1092396187   0.0249516551
C    3.6361607453  -0.8031232562   0.5911781592
C    2.3475176747  -1.2271850430  -0.1566433799
C    1.0697020798  -0.4650695480   0.2278416498
C    4.2158547878   0.5368623028   0.1308552252
C    3.3769268513  -0.7560056947   2.0979452088
C    4.6822534506  -1.8891690298   0.3164577836
C    0.9752904619   1.9990085878   0.6980716198
C   -1.2722660416  -0.7639374521  -0.1965948044
C    1.4002129361   2.6565393232  -1.2183787229
C   -2.2046229870  -1.1913405115  -1.1380354086
C   -1.7004393060  -0.0802146279   0.9342428784
C   -3.5517274190  -0.9421639361  -0.9534154762
C   -3.0530910586   0.1774118105   1.1160059002
C   -3.9699713384  -0.2514514605   0.1745812358
H    2.1433380426  -2.2560447996   0.1605178627
H    0.9265758196  -0.5291510628   1.3092719230
H    4.3831875585   0.5705776673  -0.9466131050
H    3.6064575354   1.3961434871   0.4106763336
H    5.1890270972   0.6868294858   0.6023069595
H    4.3198511002  -0.6472328473   2.6359752272
H    2.9011936422  -1.6718441728   2.4566487988
H    2.7495832578   0.0868325803   2.3950023384
H    4.3315343598  -2.8744746542   0.6334741067
H    5.6015588784  -1.6762020095   0.8649864095
H    4.9379994339  -1.9497839647  -0.7417178313
H    2.5040195836  -0.3756088212  -1.9003812538
H    0.7605225875   1.9202138630   1.7521586666
H    1.5941813584   3.3066662049  -2.0563286755
H   -1.8729083852  -1.7263205245  -2.0179856737
H   -1.0200581857   0.2490092833   1.7061115756
H   -4.2653620773  -1.2814063483  -1.6913156865
H   -3.3749032170   0.7124920192   1.9984384205
*