! 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  -5.9521113598  -1.3271831225   2.1149221341
F    2.9770531711  -2.5333142055   0.2444028761
F    2.6089323855  -1.0023905682   1.7300348261
F    1.1251168686  -2.4630151335   1.2983329851
O    4.3999661686  -0.2483689094  -0.1797889635
O   -1.8233994351  -0.6454332425  -1.9860271605
N    2.2364026296   2.5817534634   0.4474980811
N    2.1327755068   3.6217887471  -0.3847866579
N    0.1617212538   3.2155520904   0.6087570830
C    3.5405456333   0.7587045126  -0.6625423343
C    2.1486700253   0.2255563053  -1.0192443034
C    3.4180866226   1.7603669252   0.5170604430
C    4.2212660887   1.4527258398  -1.8448994604
C    1.4608852351  -0.8079150085  -0.3491172415
C    1.4518056040   0.8936792449  -2.0237915693
C    0.1409226451  -1.0964218077  -0.6800630378
C    0.1338092868   0.6240802300  -2.3434783466
C   -0.5249986904  -0.3681114371  -1.6515619515
C    2.0586047011  -1.6890927532   0.7237015981
C    1.0522838189   2.3432580673   1.0131506632
C    0.8767929638   3.9626892535  -0.2521811946
C   -2.7485043063  -0.7924327835  -0.9855088753
C   -3.7619363731  -1.7155730913  -1.1943158712
C   -2.7205667210  -0.0244435234   0.1719035295
C   -4.7565061014  -1.8756620947  -0.2430378369
C   -3.7094811788  -0.1925999598   1.1284120590
C   -4.7195565181  -1.1175389223   0.9162476466
H    3.3809761471   1.2269008214   1.4628502613
H    4.2928765966   2.4090319367   0.5460437873
H    4.2377458249   0.8140328441  -2.7294351821
H    3.7583035352   2.3987871830  -2.1155099758
H    5.2517335734   1.6742538550  -1.5667072826
H    1.9357464225   1.6809011497  -2.5796026500
H   -0.3895373761  -1.8960643510  -0.1834728227
H    4.6946649848  -0.7779830715  -0.9292453500
H   -0.3673256458   1.1884046076  -3.1184756889
H    0.8942053725   1.5554848377   1.7331000690
H    0.4605712181   4.7991844512  -0.7915727473
H   -3.7792364513  -2.3084092718  -2.0992221851
H   -1.9450810876   0.7119698364   0.3418882279
H   -5.5454941124  -2.5958316079  -0.4097384596
H   -3.6872229291   0.4049496998   2.0291945206
*