! 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  -6.0111159914  -2.0936128061   1.9894720611
F    2.6990328851  -2.5395565513   0.2110089913
F    2.5473436267  -0.9883144087   1.7154643841
F    0.9177326287  -2.3056333268   1.3573970225
O    4.2795050147  -0.3869761181  -0.2828229174
O   -1.9896170222  -0.2898242344  -1.8696795959
N    2.5961382910   2.7414894121   0.4474197878
N    2.7040217844   3.8102302716  -0.3473404715
N    0.6875722251   3.7679859972   0.6368991063
C    3.5075448054   0.7164962876  -0.6959716241
C    2.0440467946   0.3377349524  -0.9579939520
C    3.5942243768   1.7048789332   0.4934509605
C    4.1727559191   1.3365515883  -1.9274351193
C    1.3176200647  -0.6746173552  -0.3005662294
C    1.3414142894   1.1068655526  -1.8858709887
C   -0.0258957768  -0.8863082212  -0.6035849851
C    0.0017456122   0.9227387124  -2.1666588417
C   -0.6840824552  -0.0874133957  -1.5226197275
C    1.8883134188  -1.6160844439   0.7363612555
C    1.3867695737   2.7249276871   1.0105537134
C    1.5417030239   4.3913352775  -0.1967762759
C   -2.8897646549  -0.7158612566  -0.9245277966
C   -2.9532053319  -0.1391641229   0.3372332288
C   -3.7832591113  -1.7086640990  -1.2950705527
C   -3.9146123462  -0.5685341969   1.2375224943
C   -4.7538974009  -2.1296895905  -0.3991866438
C   -4.8079849428  -1.5608484798   0.8632030505
H    3.4639249221   1.1760498910   1.4337831133
H    4.5797650067   2.1691361983   0.5162320405
H    3.7938519196   2.3242373515  -2.1782387125
H    5.2384425703   1.4496688105  -1.7246304572
H    4.0587912838   0.6957353371  -2.8036391738
H    1.8433249522   1.9000532982  -2.4183540629
H   -0.5718968325  -1.6859883679  -0.1248490210
H    4.4661685771  -0.9326706208  -1.0553373508
H   -0.4981197014   1.5558950287  -2.8877306616
H    1.0710451454   1.9553176535   1.6975961402
H    1.3015833953   5.3118506269  -0.7052325685
H   -2.2662906522   0.6453589014   0.6279560212
H   -3.7278678417  -2.1507908498  -2.2812035303
H   -3.9659445368  -0.1215345310   2.2207047528
H   -5.4538331918  -2.9018167016  -0.6876700995
*