! 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  -3.4337238632   3.2134642551   0.6308060323
N   -0.4639488671  -2.3415487796  -0.4503350147
N   -0.0734813228  -2.6333301258  -1.6961307858
N   -2.2919319287  -2.2990541829  -1.6260945912
N    2.4967914035  -0.6861973890   2.8652105554
C    1.1158182751  -0.7467414540   0.6444455663
C    2.1361751775  -0.5786569978  -0.5015475086
C    0.4671026617  -2.1633827245   0.6292155026
C    2.8718825770   0.7554541577  -0.4938660834
C    0.0172738441   0.3068374083   0.6545434156
C    3.8382989536   0.9043710156  -1.6658285003
C    1.8742791238  -0.6942488489   1.8966568346
C   -0.5118437257   0.7750081846  -0.5450108696
C   -0.5504460440   0.7472217903   1.8451780933
C    5.0040049573  -0.0730068516  -1.6363777910
C   -1.5728999739   1.6653165051  -0.5601695314
C   -1.6096055277   1.6419897488   1.8475936398
C   -1.7822856456  -2.1330374113  -0.4316367413
C   -2.1132566618   2.0948216278   0.6404016966
C   -1.2007762094  -2.5969233976  -2.3567214260
H    1.6234769060  -0.7132990677  -1.4549852512
H    2.8451776690  -1.4061802562  -0.4269051877
H   -0.0765115196  -2.3248640426   1.5588883112
H    1.2417877850  -2.9252337587   0.5585272051
H    3.4265969296   0.8737116616   0.4425893451
H    2.1506976742   1.5755502379  -0.5270070645
H    4.2289945723   1.9244596124  -1.6606357101
H    3.2884945698   0.7956913457  -2.6051585654
H   -0.1062902768   0.4572152177  -1.4963391860
H   -0.1770615344   0.3999567775   2.8003189728
H    5.6998397863   0.1234414292  -2.4528310944
H    4.6791120088  -1.1094968107  -1.7353844772
H    5.5624168978   0.0095151343  -0.7018382969
H   -1.9673216034   2.0166894253  -1.5032444907
H   -2.0307597496   1.9763972698   2.7852451566
H   -2.3243551491  -1.8857976444   0.4674336974
H   -1.2392635376  -2.8037807487  -3.4143993622
*