! 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   1.0060904030  -0.4526553150  -2.3208168488
Cl   5.7344357510  -0.4130413947   0.1285719403
O   -0.9611922904  -0.6304280948  -0.1179703608
O   -0.6474456073   0.5264136279   1.7645580772
N   -2.0465768322   1.9020887574  -0.3938810480
N   -2.7941698460   2.4024164032   0.5930206238
N   -4.0877214037   1.7539993018  -1.1245304041
C   -0.2491633756   0.4303106186   0.4240243825
C   -1.1210202532  -1.5922710441   0.9165542264
C   -1.1978330358  -0.7184920516   2.1694788172
C   -2.3309349228  -2.4668346982   0.6542892766
C   -0.6227532621   1.7334110930  -0.2862551981
C    1.2599151804   0.2004945574   0.3270564524
C   -3.6217741635  -1.7241615597   0.3309708001
C    1.8901538974  -0.1926280510  -0.8536170694
C    2.0685837415   0.4045201447   1.4404196764
C   -4.7983341964  -2.6792152340   0.1973188729
C    3.2615163002  -0.3831896016  -0.9240407638
C    3.4405507926   0.2192622563   1.4004597055
C   -2.8307479675   1.5063140519  -1.3962377739
C    4.0252136995  -0.1766408085   0.2113231677
C   -4.0025100272   2.2904991595   0.1072331910
H   -0.2284590981  -2.2287325852   0.9668783433
H   -2.2221222707  -0.5571664227   2.5134065697
H   -0.6217915723  -1.1447577586   2.9929584840
H   -2.4700034015  -3.0911038401   1.5428884981
H   -2.0971902815  -3.1578512605  -0.1602037944
H   -0.2059656988   1.7606673445  -1.2912485464
H   -0.2018348410   2.5767874608   0.2590504554
H   -3.5025536407  -1.1677366337  -0.5994571716
H   -3.8449118180  -0.9811318643   1.1018212977
H    1.6216648771   0.7191271322   2.3723330291
H   -5.7180777943  -2.1442082476  -0.0418522388
H   -4.6281170746  -3.4090442522  -0.5963394834
H   -4.9707460303  -3.2341676706   1.1214043737
H    3.7224097704  -0.6893419330  -1.8525617752
H    4.0366498410   0.3853668520   2.2863763800
H   -2.4456202602   1.0679275126  -2.3030239526
H   -4.8644262670   2.6260060113   0.6621345520
*