! 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   5.1154467521   4.5808669342  -0.2171810119
O   -0.7036076806  -1.7507692990   1.3441868592
N   -1.5045262482  -3.4097494483  -0.8500909388
N   -2.4668536143  -3.4781039491  -1.7758322817
N   -2.8183186015  -5.0063778923  -0.1733377479
C   -0.7920730614  -1.2026609318   0.0465859239
C   -2.1795083176  -0.5569388350  -0.2966202298
C    0.2659526753  -0.0921991032  -0.2436782919
C   -1.8839856149   0.9230961336  -0.5491733964
C   -0.4839616406   0.8894348353  -1.1453716329
C   -3.3439438174  -0.8737696096   0.6561265904
C   -0.4871467294  -2.3823530320  -0.8800199129
C    0.7961984302   0.5755996413   1.0343818015
C   -3.3963691517   0.0006753459   1.9086935291
C   -4.6724444844  -0.7595786287  -0.0873679155
C    1.8676863382   1.5854493209   0.7387892979
C   -1.7338484564  -4.3186740304   0.0977824420
C    1.6107275795   2.9527460156   0.7693915828
C    3.1538280161   1.1666234154   0.4021797128
C    2.6002891361   3.8816249830   0.4766403981
C    4.1558102081   2.0767434816   0.1058479777
C   -3.2258646085  -4.4437358493  -1.3258709776
C    3.8676440509   3.4325695503   0.1461600813
H   -2.4687636126  -0.9666300959  -1.2694064931
H    1.1280225224  -0.5231548938  -0.7642515163
H   -1.8814784478   1.5016116805   0.3784377980
H   -2.6176054530   1.3872751672  -1.2095158206
H   -0.5256417771   0.5012517470  -2.1670468656
H   -0.0074026230   1.8691666925  -1.2008844306
H   -3.2444972326  -1.9162829452   0.9757039543
H    0.4652500968  -2.8346475496  -0.5995857160
H   -0.3976016804  -2.0447734292  -1.9107568512
H    1.2110086114  -0.1880196419   1.6944406179
H   -0.0129844639   1.0619332839   1.5875088578
H   -0.9919231148  -1.1034364620   1.9943643184
H   -4.1443015239  -0.3814435540   2.6050730866
H   -2.4558256506   0.0563912562   2.4624578305
H   -3.6769685037   1.0274864613   1.6668892638
H   -5.5138087590  -0.9788326054   0.5727090221
H   -4.7194537868  -1.4596971391  -0.9233737070
H   -4.8236324407   0.2468362270  -0.4848176007
H   -1.0857557407  -4.4630224150   0.9463274928
H    0.6214570322   3.3081904814   1.0313576019
H    3.3851218286   0.1083755943   0.3748737575
H    2.3804620102   4.9401012361   0.5094498804
H    5.1484988402   1.7310369596  -0.1487833215
H   -4.1060273216  -4.7645717113  -1.8606916784
*