! 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  -5.2510124290  -0.7517294978  -0.3914295460
O    3.1752802391   1.3131179830   0.9699829971
O    2.5211105830  -2.4186786697  -1.3782661673
N    2.5073026919  -0.4239600397  -0.3008768781
N    0.6745146783  -1.8925079375  -0.1584403749
N   -0.9034329341  -2.9760606883   0.9282331191
C    2.0274776507   0.5271673538   0.7531305677
C    3.8093199096   0.0240386960  -0.8490781117
C    3.8535305678   1.4317358715  -0.2583443835
C    0.8719159778   1.3728897739   0.2173271365
C    1.7002088503  -0.1385842173   2.0805609482
C    4.9601254992  -0.8190046337  -0.3055767443
C    3.8346969464   0.0923990771  -2.3685229221
C    0.3996905754   2.4742754576   1.1558185466
C    1.9873886026  -1.5981970565  -0.6587279907
C   -0.8197236214   3.2071768548   0.5846901016
C   -1.9705121933   2.2731121987   0.3311424726
C   -0.5192819141  -1.5040797947  -0.7201643466
C    0.3815157440  -2.7941296786   0.8124232300
C   -2.6642875661   1.7000714223   1.3950029246
C   -2.3278997908   1.9002251109  -0.9609230316
C   -1.4751832882  -2.1774473247  -0.0263523781
C   -3.6760500336   0.7772277131   1.1833548481
C   -3.3401617212   0.9799253912  -1.1956600884
C   -4.0036145441   0.4243274260  -0.1160721102
H    4.8699614869   1.7741393279  -0.0708238961
H    3.3658068782   2.1573072107  -0.9195273904
H    0.0330802386   0.7072712571   0.0218827812
H    1.1467662415   1.8078001332  -0.7483869697
H    0.6885804206  -0.5355467355   2.1105456381
H    1.7748735722   0.5999101424   2.8780599845
H    2.4037357575  -0.9388920063   2.3088733285
H    4.8952796296  -1.8532878580  -0.6369338872
H    4.9827871630  -0.8081723507   0.7846928931
H    5.9079545664  -0.4159362469  -0.6640271133
H    2.9513454410   0.5987546532  -2.7589166765
H    4.7086174392   0.6664896939  -2.6802949532
H    3.9063739269  -0.8884835628  -2.8312964147
H    0.1324751849   2.0569430403   2.1300099622
H    1.1964907985   3.1989970621   1.3337593026
H   -0.5417882427   3.7078293046  -0.3456696610
H   -1.1206865803   3.9894465967   1.2850685271
H   -0.5750386767  -0.8230025089  -1.5522025954
H    1.1467278859  -3.2702541102   1.4051761086
H   -2.4110368812   1.9706621339   2.4131994907
H   -1.8030791468   2.3266488676  -1.8071570641
H   -2.5426573059  -2.1346343713  -0.1684612990
H   -4.2009484386   0.3407144300   2.0221546769
H   -3.5992841041   0.7005944310  -2.2078876282
*