! 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   0.3634372728   0.2243496009   2.1461971696
Cl  -7.7103039505   0.8472100630   0.7070968023
O    3.4485808135  -0.3538126733  -1.1050674281
O    3.1011457432   0.2775105488   1.0053774544
O   -2.4784859733   1.5929590921  -1.8185553028
N    3.6529150680  -2.5100265104   0.6786532747
N    4.3839978672  -3.1543641042  -0.2347526757
N    5.4945589501  -3.0257429500   1.7112125871
C    2.5364508289  -0.4420537862  -0.0473719641
C    4.3400943393   0.7426206769  -0.8780477950
C    2.3859753700  -1.9097770298   0.3560084853
C    3.7840855058   1.3618075420   0.4020295195
C    1.1778572631   0.1204111069  -0.4648266840
C    5.7613076683   0.2413464866  -0.7486812765
C    0.1612566914   0.4308250064   0.4361860888
C    0.8949060559   0.3056117052  -1.8157938451
C   -1.0707957318   0.9169773084   0.0241738025
C   -0.3283211360   0.7732311526  -2.2578338471
C   -1.3123350501   1.0811793719  -1.3316376223
C    4.3332738221  -2.4279504984   1.8224050465
C    5.4703076135  -3.4429912874   0.4309300474
C   -3.6681400732   1.3865566834  -1.1673079524
C   -4.5387811808   2.4623233720  -1.0895993232
C   -4.0341811415   0.1424735846  -0.6711445774
C   -5.7900357568   2.2967272314  -0.5171194832
C   -5.2798715830  -0.0200761171  -0.0861046518
C   -6.1495952946   1.0568892902  -0.0143149481
H    4.2632144645   1.4392212215  -1.7162846151
H    1.9394205621  -2.4728051244  -0.4612481157
H    1.7238388847  -2.0028073651   1.2153212458
H    4.5558570659   1.7142607504   1.0852384733
H    3.1000279170   2.1907407194   0.1910382912
H    6.0621161025  -0.3276922040  -1.6282603063
H    6.4418596435   1.0881618963  -0.6540446239
H    5.8888036977  -0.3914614351   0.1310662079
H    1.6487528302   0.0693222180  -2.5525518963
H   -1.8214922188   1.1673790402   0.7619186685
H   -0.5151389668   0.9017707606  -3.3154471661
H    3.9415075604  -1.9551306738   2.7084224170
H    6.2812235828  -3.9888715280  -0.0249713650
H   -4.2473294754   3.4274947579  -1.4818096977
H   -3.3684523291  -0.7077912872  -0.7407515077
H   -6.4702068242   3.1351209667  -0.4617015594
H   -5.5667741840  -0.9887104321   0.2988113340
*
