! 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  -0.5257916853  -1.0098492100  -2.7341932030
Cl  -4.1864361364   1.2160047718   0.4855828579
O    0.5016341528  -3.1893404898   0.5934855811
N    1.5427670677  -2.4575101796   0.1055353897
N    1.6395586460   3.1924010347   0.2224216313
C    2.2718537791  -0.3744103275  -0.7897461840
C    1.2057750540  -1.2810708415  -0.2433124223
C   -0.1561284934  -0.7204278876  -0.0740827763
C    2.3316837173   0.9042223366  -0.0014563787
C   -1.0090181464  -0.5113630566  -1.1495944408
C   -0.5888892864  -0.3264528755   1.1888222857
C    2.9810703484   0.9752174903   1.2241648117
C    1.6778218632   2.0464839836  -0.4462281461
C   -2.2523358090   0.0819984799  -0.9955057337
C   -1.8239521594   0.2679210649   1.3750893659
C   -2.6431187372   0.4682697968   0.2748291927
C    2.9533686122   2.1651892703   1.9325886359
C    2.2674828281   3.2413706810   1.3920921798
C    0.9576187106  -4.4601655679   1.0217442852
H    3.2296470407  -0.8942610785  -0.7628316196
H    2.0583174932  -0.1497097305  -1.8377451351
H    0.0578359331  -0.4754838264   2.0433579785
H    3.5012941443   0.1112143084   1.6200111678
H    1.1572163738   2.0300920943  -1.3988249518
H   -2.8988387664   0.2355381083  -1.8481829122
H   -2.1380185063   0.5711293013   2.3638795487
H    3.4514487994   2.2610380224   2.8873196870
H    2.2287502748   4.1846069775   1.9237848148
H    1.6954712933  -4.3785525391   1.8227790062
H    1.3834954153  -5.0386482663   0.1993093968
H    0.0818113626  -4.9822042180   1.4025540583
*
