! 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  -0.6807657550  -2.0637120463  -2.1840673081
Cl  -4.4543946792  -1.8077934102   1.6051446924
O    3.2426747815  -0.4458628495   0.0681967383
N    2.0198643214  -0.8911580020   0.4619369497
N    2.8742335197   3.7406378541  -0.3548849461
C    1.2308909170   0.5168429942  -1.4107534899
C    1.0702632945  -0.4504235314  -0.2645736352
C   -0.2876231324  -0.8218934516   0.1875248096
C    1.4093294608   1.9091713740  -0.8639645008
C   -1.1830261876  -1.5154908260  -0.6226633340
C   -0.7160140991  -0.4606103480   1.4625144781
C    0.3366479181   2.6194123320  -0.3358850467
C    2.6542564764   2.5272142222  -0.8467581781
C   -2.4661013235  -1.8225774332  -0.2026880937
C   -1.9900908924  -0.7603132169   1.9131591102
C   -2.8562634357  -1.4335549183   1.0683600696
C    0.5535479253   3.8835780985   0.1860467084
C    1.8395600393   4.3978453567   0.1570623970
C    4.2497458394  -0.9595792617   0.9217193301
H    2.0809635512   0.2402087657  -2.0354517137
H    0.3461709674   0.4911464224  -2.0450911586
H   -0.0400796954   0.0789625408   2.1117230257
H   -0.6601198779   2.1946028819  -0.3390279158
H    3.5149280271   2.0156604233  -1.2620368507
H   -3.1406772344  -2.3664589588  -0.8488864649
H   -2.3001970674  -0.4636759779   2.9050152277
H   -0.2580299607   4.4634508937   0.6028611526
H    2.0419153354   5.3844252560   0.5563875467
H    5.1929081487  -0.5686595174   0.5464028227
H    4.2846342160  -2.0504656259   0.8981669759
H    4.1145719002  -0.6269616196   1.9527526813
*
