! 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  -0.5717529529  -0.6350870315   2.5354631583
Cl   2.1551626246  -4.0149637032  -0.5456375761
O   -1.7619296619   1.3564449967   0.7336945143
O   -0.7504037153   1.9352592325  -1.1615947655
N    1.7705693170   2.2100235125   0.4025361384
N    2.6649907740   1.3989501954   0.9746057376
N    3.4956464134   2.2720500193  -0.9183176263
C   -0.5192256385   1.3699638121   0.0963458084
C   -2.7916262453   1.3134890965  -0.2566996590
C   -2.0193240229   1.4511932785  -1.5728059484
C   -3.6180466889   0.0471311216  -0.1570185883
C    0.4152456571   2.2942690581   0.8843812436
C    0.0867821975  -0.0265188056  -0.0480357869
C   -4.7785670272   0.0550487796  -1.1454436361
C    0.1236963032  -0.9596886160   0.9843535202
C    0.7285945994  -0.3684577224  -1.2351185409
C   -5.6435432725  -1.1902342335  -1.0368579836
C    0.7490385639  -2.1890220205   0.8391163774
C    1.3681624794  -1.5831958749  -1.4070331349
C    2.2757526111   2.7104165784  -0.7263269988
C    1.3680663966  -2.4877902518  -0.3610105399
C    3.6760863458   1.4741557186   0.1512361183
H   -3.4358261858   2.1836953236  -0.0947279709
H   -1.9251276697   0.4891364402  -2.0910721103
H   -2.4586704972   2.1718024369  -2.2602777209
H   -4.0100001079  -0.0465993025   0.8591905105
H   -2.9799483266  -0.8250798573  -0.3336343135
H    0.4182264279   2.0244223451   1.9377268165
H    0.0624155502   3.3221298507   0.7995306775
H   -4.4006285408   0.1420253428  -2.1685599003
H   -5.3926625502   0.9431427579  -0.9723470897
H    0.7401266709   0.3319180623  -2.0582421829
H   -5.0705166348  -2.0921065930  -1.2565029350
H   -6.0567834590  -1.2988340335  -0.0329044330
H   -6.4800212631  -1.1535529817  -1.7347480543
H    0.7582420407  -2.8961548160   1.6565741145
H    1.8572909095  -1.8116056356  -2.3432007157
H    1.7368880578   3.3956221869  -1.3603856605
H    4.5911960015   0.9333937981   0.3330122395
*
