! 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  -3.6286558396   3.2002749758   0.4047347564
N   -0.4198479200  -2.1465539655  -0.8307347532
N   -0.4543210739  -3.2210378973  -0.0344068657
N   -2.5357540726  -2.5753755935  -0.5750763708
N    1.7075209405  -1.6385012370   2.2081270885
C    1.1836424880  -0.4116947961  -0.0416562872
C    2.4768335800   0.3282964869  -0.4641220361
C    0.8097754872  -1.4592682355  -1.1205082318
C    3.7434778063  -0.5210594070  -0.4815407958
C    0.0092804474   0.5426062241   0.1378673578
C    4.9728530295   0.2731765788  -0.9174982387
C    1.4577543815  -1.1041313042   1.2193231038
C   -0.9272884084   0.3679099993   1.1511047418
C   -0.2059148691   1.5526690086  -0.7962111272
C    5.3682351652   1.3818537834   0.0473524931
C   -2.0465832506   1.1814766780   1.2419413125
C   -1.3183950587   2.3743294475  -0.7183947165
C   -1.6649273577  -1.7690547156  -1.1284704698
C   -2.2331185664   2.1809241413   0.3037141248
C   -1.7376066253  -3.4384544120   0.0807907232
H    2.6001965790   1.1804111973   0.2063791260
H    2.3142290077   0.7339051299  -1.4648847408
H    1.5953058530  -2.2022505958  -1.2374675071
H    0.6970773379  -0.9401115118  -2.0719219382
H    3.6186533330  -1.3693445320  -1.1593858004
H    3.9325718566  -0.9407663835   0.5108133412
H    4.8042061672   0.6924851475  -1.9136182644
H    5.8082443300  -0.4234608141  -1.0192217195
H   -0.8101060201  -0.4126479904   1.8919399396
H    0.4863157813   1.7158885650  -1.6107282639
H    4.6219515966   2.1754757466   0.0981631734
H    6.3072210270   1.8457579561  -0.2563836162
H    5.5062307910   0.9930337040   1.0581915166
H   -2.7611714372   1.0257134364   2.0377931306
H   -1.4642943765   3.1541371324  -1.4526422029
H   -1.8866115101  -0.9226454445  -1.7588757971
H   -2.1165396811  -4.2645150955   0.6611853334
*