! 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  -0.1446169230  -1.5761883023   2.2523564098
Cl   4.3272376507  -0.5069891785  -0.4356460191
O   -2.2233722328  -0.2621568247  -1.5342745799
O   -2.2772649902  -1.6878452665   0.1672237079
N   -1.4594121105   1.8306412178   0.5715553853
N   -1.5401941742   2.6235685699  -0.4996597263
N    0.1399769084   3.2777043644   0.8387711642
C   -1.7200018018  -0.4770115130  -0.2458858381
C   -2.2326599707   0.6242454783   0.6901521849
C   -0.1905506693  -0.5260025989  -0.2735401649
C   -2.3953328094  -1.5375847039  -2.1455529159
C   -2.2819248400  -2.5245629573  -0.9785345332
C    0.5788922541  -0.9977098640   0.7884334004
C    0.4931929871  -0.0251078461  -1.3775958686
C    1.9647117176  -0.9987103030   0.7481596349
C    1.8758733646  -0.0112356134  -1.4458970371
C   -0.4453479039   2.2217272220   1.3444407928
C    2.6009275522  -0.5064651866  -0.3775438106
C   -0.5696621835   3.4732027200  -0.2879242574
H   -2.1712642549   0.2922428915   1.7243069407
H   -3.2785089504   0.8350997507   0.4713546608
H   -1.6321713572  -1.7172041828  -2.9060687107
H   -3.3740665166  -1.5580834776  -2.6246502286
H   -3.1282690467  -3.2055156141  -0.9073660739
H   -1.3634426499  -3.1151915518  -1.0358801480
H   -0.0633298473   0.3697783867  -2.2150356254
H    2.5347692257  -1.3739447140   1.5865100410
H    2.3718478376   0.3829287719  -2.3215245006
H   -0.1876476928   1.7279284930   2.2684625709
H   -0.3670805989   4.2782481756  -0.9767689806
*
