! 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   5.2181262886   3.6212660640  -0.1203582909
O   -1.6475602316  -1.0965268033   1.8317450228
N   -1.1649957280  -2.7363242865  -0.5562940053
N   -0.4668039514  -2.9520546716  -1.6757217063
N    0.1398062819  -4.4137558938  -0.0875643583
C   -1.8373336441  -0.5611369638   0.5391233903
C   -2.9553109191   0.5113839945   0.4552148338
C   -0.6006172984   0.2931570826   0.2071798577
C   -2.5592043451   1.3557800583  -0.7714364707
C   -1.0487034111   1.1372014839  -0.9828096083
C   -4.4209150029   0.0595337361   0.4266224554
C   -2.1508766983  -1.6802682166  -0.4687618710
C    0.7453308246  -0.4107005949   0.0299924679
C   -4.8113416736  -0.8343055359   1.6022033835
C   -5.3341674494   1.2840619591   0.4075933632
C    1.8744369728   0.5810580938  -0.0095428124
C   -0.7941738625  -3.6151972875   0.3752551250
C    2.3965286668   1.0274088715  -1.2203356938
C    2.4070924562   1.1031025666   1.1669330978
C    3.4202079259   1.9629723130  -1.2662748306
C    3.4319333543   2.0370485861   1.1440322700
C    0.3007459922  -3.9587061689  -1.3432299745
C    3.9309986031   2.4595718226  -0.0782601924
H   -2.8260953367   1.1261770476   1.3559610180
H   -0.4982723559   0.9633337613   1.0712943816
H   -2.7979973431   2.4071483014  -0.6155352195
H   -3.1247374905   1.0391890100  -1.6513157725
H   -0.8575733551   0.6078713205  -1.9205968603
H   -0.4973164775   2.0756070956  -1.0411816456
H   -4.6004063510  -0.4959249115  -0.5017085300
H   -2.2659757825  -1.2809346042  -1.4749178280
H   -3.1046882788  -2.1442837090  -0.2123753439
H    0.7560791822  -0.9902436416  -0.8931051824
H    0.9102016992  -1.1104128292   0.8536504843
H   -2.4655642128  -1.4961366964   2.1438089648
H   -5.8859157193  -1.0236361289   1.5969766993
H   -4.3394817193  -1.8193444882   1.5760088709
H   -4.5696586723  -0.3662037584   2.5594110022
H   -5.1514975889   1.9245374190  -0.4555648418
H   -5.1940157502   1.8891921623   1.3069704895
H   -6.3831201488   0.9847526820   0.3732854705
H   -1.2324743454  -3.6610019337   1.3581410686
H    2.0030840635   0.6383051913  -2.1516692439
H    2.0231427996   0.7721488971   2.1246193335
H    3.8131733962   2.2944417815  -2.2178634874
H    3.8376846343   2.4247155907   2.0687131102
H    1.0026884235  -4.3872363219  -2.0416225640
*