! 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   0.2383152015   0.0068041234   2.3415499019
Cl  -4.3541803669  -1.0800700955  -0.1978689388
O    3.6273701997  -1.7317075508  -0.0223140105
N    2.2774808194  -1.8902852651   0.1079266444
N   -0.5066762560   2.8155825918  -1.7146772205
C    2.2377502052   0.4417850343  -0.7148884893
C    1.6267646583  -0.8468064921  -0.2182994403
C    0.1495415211  -0.9662677240  -0.1724242676
C    1.2937476534   1.6082490272  -0.6780070084
C   -0.5865637125  -0.5532621994   0.9318280397
C   -0.5443926650  -1.4329513248  -1.2826566943
C    1.2849414732   2.5030437745   0.3831478863
C    0.3762880962   1.8261524475  -1.7010025075
C   -1.9712299244  -0.5836327511   0.9410583184
C   -1.9281750234  -1.4787407992  -1.3033029467
C   -2.6264193701  -1.0452433710  -0.1885427014
C    0.3703108891   3.5445829375   0.3831253866
C   -0.5067212209   3.6532311100  -0.6820197606
C    4.3040976613  -2.8812809963   0.4524858927
H    3.1345324202   0.6704422196  -0.1362265965
H    2.5789053793   0.2715054832  -1.7417459021
H    0.0069900875  -1.7562900124  -2.1556118729
H    1.9863887819   2.3897502170   1.2000726882
H    0.3611713722   1.1619405388  -2.5591480630
H   -2.5242892908  -0.2576791212   1.8108254317
H   -2.4483747166  -1.8420211103  -2.1781455841
H    0.3350016352   4.2585672185   1.1941337312
H   -1.2371033406   4.4533959986  -0.7074642501
H    4.1282207076  -3.0456157783   1.5176587728
H    5.3646375836  -2.6943137331   0.2957939881
H    4.0176640980  -3.7781098146  -0.1005068749
*
