! 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   5.8795328709  -0.0393718406  -0.3541316120
O   -2.6074815908   0.3356939267   1.7178358596
N   -2.1164301964  -1.7988894314  -0.2597893582
N   -1.1515544587  -2.1189012331  -1.1258067463
N   -1.0500629636  -3.4454154036   0.6796546004
C   -3.1753236528   1.8796280488  -0.1530825462
C   -2.4588291885   0.5932254007   0.3441455919
C   -2.4025218092   2.1795794111  -1.4446471363
C   -1.0043112221   0.8577029460   0.0165902824
C   -0.9423252130   1.8321975263  -1.1283696128
C   -2.9507754494  -0.6398408480  -0.4564834480
C   -2.9561817732   3.0090889224   0.8557005076
C   -4.6715959938   1.7150284141  -0.3908241824
C   -0.0122094946   0.2441464804   0.6669448554
C    1.4232332253   0.2585113227   0.3975827735
C   -2.0331635880  -2.5867392286   0.8128492332
C    2.0842589511   1.1855197128  -0.4150115146
C    2.1964670094  -0.7508213969   0.9840954379
C   -0.5437835857  -3.1053808087  -0.5205017510
C    3.4481219735   1.0998946579  -0.6435675418
C    3.5580723281  -0.8538232730   0.7609380085
C    4.1767609954   0.0763974282  -0.0593442805
H   -2.5231095575   3.2184583808  -1.7543265570
H   -2.7759022897   1.5658520492  -2.2678027273
H   -0.3972091761   2.7317494839  -0.8329516480
H   -0.4126156824   1.4222884985  -1.9920591052
H   -2.9756085752  -0.4468565356  -1.5263826141
H   -3.9672906498  -0.8958069552  -0.1525897305
H   -1.9043807953   3.1560896440   1.1090138210
H   -3.3244278979   3.9482633048   0.4391838385
H   -3.4958473521   2.8345374831   1.7870693439
H   -5.1096230072   2.6688440558  -0.6901859879
H   -4.8993365480   0.9984876737  -1.1809830923
H   -5.1956727809   1.3953024085   0.5135271509
H   -3.5391718568   0.1732823241   1.9064152361
H   -0.2901678410  -0.4255363689   1.4749866689
H   -2.7136117642  -2.5229457852   1.6461892255
H    1.5492174978   2.0012314888  -0.8758509461
H    1.7193061910  -1.4806028293   1.6262220846
H    0.2962541537  -3.6107319802  -0.9705216754
H    3.9344065129   1.8307220258  -1.2751141094
H    4.1260910956  -1.6503944118   1.2218385087
*