! 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  -2.5581541060   3.6397082090   0.3505336437
N   -0.7579632755  -2.4114267749  -0.7453647797
N   -0.9239267698  -3.4184151137   0.1182078514
N   -2.8839979787  -2.4085341629  -0.2958843986
N    1.7329246073  -2.2270535533   2.0146885044
C    1.2435814661  -1.0070134522  -0.2453236689
C    2.6185680241  -0.6544229578  -0.8680086212
C    0.5484687733  -2.0142429305  -1.1977698276
C    3.6275195435   0.0450370091   0.0388011375
C    0.3247445048   0.1899552682  -0.0419266070
C    3.2974404496   1.4628388076   0.4963805556
C    1.4935685016  -1.6898875177   1.0251026660
C   -0.3266256102   0.4383659541   1.1596759880
C    0.0540915286   1.0216767672  -1.1258168147
C    3.2424505577   2.4782080703  -0.6340624840
C   -1.2114774893   1.4989264035   1.2898683163
C   -0.8279712223   2.0824670849  -1.0141210575
C   -1.9308164112  -1.8151653211  -0.9695553227
C   -1.4546165599   2.3149219386   0.1997230841
C   -2.2087768695  -3.3778899980   0.3498915368
H    2.4383396371  -0.0705023283  -1.7720816674
H    3.0663487783  -1.5921878395  -1.2055373184
H    1.1584946069  -2.9082709677  -1.3128238354
H    0.4506948757  -1.5560272085  -2.1809965949
H    4.5735591415   0.0698390129  -0.5098499009
H    3.8180686202  -0.5814762920   0.9141209841
H    4.0707062624   1.7685110470   1.2061829722
H    2.3606538423   1.4794359319   1.0580976414
H   -0.1558344243  -0.1870136892   2.0260875802
H    0.5226822181   0.8539345580  -2.0870116493
H    2.4563978626   2.2542077523  -1.3554131768
H    4.1880899652   2.5102599591  -1.1789743405
H    3.0490177024   3.4809594118  -0.2515738742
H   -1.7033203236   1.6761669917   2.2360222066
H   -1.0207215253   2.7160256511  -1.8686007353
H   -2.0459823147  -0.9764400826  -1.6373682957
H   -2.6834227810  -4.0842523071   1.0122823375
*