! 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  -6.0858805801   0.6725836764   0.2524997893
O    2.9124416120   1.4192392906   0.7198140535
O    0.0422109782  -1.5590814532   0.6683303125
N    2.0537473771  -0.6076740872   0.2190406334
N    1.6173762486  -2.8433062276  -0.3426146343
N    1.6188953921  -4.5777224987  -1.6972898152
C    1.7136411450   0.6953284338   0.8669210539
C    3.3618195457  -0.5145620145  -0.4817654090
C    3.5072905475   1.0079197851  -0.4874778705
C    0.5667328633   1.3897464029   0.1202799997
C    1.4540934379   0.5481823808   2.3557003001
C    4.4949462106  -1.1346093186   0.3299550516
C    3.3654393877  -1.0301125099  -1.9137104865
C    0.2905958944   2.8087411653   0.6015273524
C    1.1734324518  -1.6081572124   0.2255749679
C   -0.7900197424   3.5001532413  -0.2356160703
C   -2.1262000281   2.8195524936  -0.1392323777
C    2.4493240430  -3.7750680106   0.2270291752
C    1.1333068961  -3.3866757925  -1.4876316373
C   -2.5896813789   1.9824901305  -1.1500946176
C   -2.9196855738   2.9794562283   0.9952764080
C    2.4370475218  -4.8326778058  -0.6286495668
C   -3.8037193119   1.3185884521  -1.0403911406
C   -4.1356769634   2.3266298668   1.1247980502
C   -4.5668183084   1.4966376957   0.1012478178
H    4.5498651736   1.3230472753  -0.4965058441
H    3.0084487156   1.4500969392  -1.3587428660
H   -0.3345615477   0.7877030317   0.2263458621
H    0.7940490776   1.4131158041  -0.9503920531
H    0.4768860277   0.1171595116   2.5570106419
H    1.4870202312   1.5262513099   2.8352583485
H    2.2148048091  -0.0771125987   2.8229769825
H    4.4235188796  -2.2190045043   0.3729102757
H    4.5188226938  -0.7518995140   1.3503733525
H    5.4494289750  -0.8965684158  -0.1407815255
H    4.2174479084  -0.5874659010  -2.4327409213
H    3.4859311958  -2.1096135568  -1.9818395622
H    2.4654086853  -0.7381136235  -2.4556111738
H   -0.0235363355   2.8043105808   1.6488111759
H    1.2003077176   3.4099259938   0.5498335731
H   -0.4693659778   3.5388702901  -1.2795468987
H   -0.8820785709   4.5350376237   0.1013060697
H    2.9244290250  -3.6247494786   1.1809099898
H    0.4458574225  -2.8580389648  -2.1290667988
H   -1.9956880845   1.8405590752  -2.0447556584
H   -2.5876736969   3.6282741660   1.7970698683
H    2.9663637882  -5.7660007120  -0.5244533236
H   -4.1444838682   0.6719137447  -1.8374489803
H   -4.7383120117   2.4666048961   2.0119057321
*