! 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  -5.6414315542  -0.0314657221   0.4721986373
O    2.7267600512  -0.9302197418  -1.5618032360
O    0.0454242733  -0.9970301474  -0.5646931948
N    1.1379587545   1.0347460957  -0.2857651991
N    1.1815247245   2.0286794076   0.6096624563
N    1.1398292620   2.8539472110  -1.4730350302
C    3.5391899273  -1.0040805285   0.7706682454
C    2.3635646691  -1.1532681072  -0.2199047942
C    1.0885417287  -0.3569116862   0.1230366651
C    4.0696729543   0.4262524003   0.8764668859
C    3.0990115133  -1.4822229636   2.1554528774
C    4.6724618536  -1.9162420327   0.2885451663
C    1.1026196456   1.5449654388  -1.5227607491
C   -1.2510835916  -0.7043353349  -0.2678190048
C    1.1926617713   3.0933484471  -0.1475837237
C   -1.6598838912   0.1660095710   0.7348487164
C   -2.2019438142  -1.3615901019  -1.0442209750
C   -3.0157121526   0.3695465843   0.9594983658
C   -3.5504334808  -1.1592333734  -0.8183167643
C   -3.9520043212  -0.2908199320   0.1866504864
H    2.0538518572  -2.2019600681  -0.1616599193
H    0.9187011117  -0.3579772937   1.2017011078
H    4.3491971668   0.8534659452  -0.0903513908
H    3.3580285745   1.1031496805   1.3461511552
H    4.9735180690   0.4371312969   1.4876178401
H    2.6915135372  -2.4947928423   2.1196851331
H    2.3476189499  -0.8358847179   2.6121230594
H    3.9540423603  -1.4978959533   2.8327732539
H    4.3377608947  -2.9497712482   0.1749723826
H    5.4864899086  -1.9130745932   1.0154200802
H    5.0912614318  -1.5939202751  -0.6651537150
H    3.3045663195  -0.1606999213  -1.6177984364
H    1.0300676572   0.9505157238  -2.4181752235
H    1.2329344964   4.0854894667   0.2730619741
H   -0.9614018627   0.7026250440   1.3604586210
H   -1.8831825234  -2.0388149511  -1.8257985995
H   -3.3245608492   1.0487473881   1.7419552771
H   -4.2794560841  -1.6776003144  -1.4253986724
*