! 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   5.9109914430   0.0433998134  -0.3128883528
O   -2.6920999181   0.0851787499   1.6848464520
N   -2.1363475692  -1.7608253669  -0.4903286987
N   -2.2828899850  -2.6637320234   0.4834003818
N   -0.5484810106  -3.2085389033  -0.8355517745
C   -3.1459049259   1.9010273754   0.0416808592
C   -2.4379817702   0.5571535379   0.3859645488
C   -2.3434373624   2.3721323468  -1.1768749013
C   -0.9742764496   0.8587920317   0.1062845535
C   -0.8882246182   2.0071765540  -0.8613025750
C   -2.9278328183  -0.5578547799  -0.5596247683
C   -2.9524297496   2.8861201511   1.1975496144
C   -4.6355443846   1.7728168326  -0.2458377966
C    0.0041802928   0.1297973255   0.6517451034
C    1.4454336729   0.1889158768   0.4150818939
C   -1.0941466815  -2.0918822745  -1.2527981120
C    2.2022897720  -0.9373030926   0.7581105302
C    2.1229494721   1.2788680042  -0.1400138184
C   -1.3137369903  -3.5052043682   0.2314757576
C    3.5670394220  -0.9955931964   0.5372285093
C    3.4906448211   1.2397543733  -0.3588741275
C    4.2034820743   0.0991483226  -0.0262728668
H   -2.4725583786   3.4393573267  -1.3601786288
H   -2.6810217174   1.8579458342  -2.0800140847
H   -0.3784705759   2.8572471452  -0.4010268727
H   -0.3143900129   1.7544989511  -1.7564133329
H   -2.9083546282  -0.2227048121  -1.5956142024
H   -3.9580884570  -0.8221357126  -0.3229602908
H   -3.3089956654   3.8742321674   0.9028013979
H   -3.5205922922   2.5940641941   2.0821499810
H   -1.9075487289   2.9987983056   1.4963304033
H   -4.8463065293   1.1739357611  -1.1330227518
H   -5.1702023506   1.3280253484   0.5958084565
H   -5.0690528350   2.7595096118  -0.4194567340
H   -2.2483133350   0.6652990589   2.3140211699
H   -0.2916998234  -0.6693036327   1.3265907602
H   -0.7819924239  -1.5085049893  -2.1045368573
H    1.7084156297  -1.7945400919   1.1989601706
H    1.5986652974   2.1869047633  -0.3956835704
H   -1.1571816492  -4.3810850548   0.8414387599
H    4.1233147196  -1.8840571378   0.8024690965
H    3.9916450360   2.0981780027  -0.7847454175
*