! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   1.1184016980  -0.5442883264   3.1069377938
Cl  -6.7996693507   3.0062726938  -2.6942825133
O    2.7782730755  -0.4308237084  -1.0901563993
O    3.0612224054   0.2136638412   1.0454614908
O   -3.2616481868  -0.1179069039   0.7726047704
N    4.1701372110  -2.3103398136   0.6179878224
N    4.9144511756  -2.5511471716  -0.4643808856
N    6.2153834319  -2.3060965339   1.3432660966
C    2.3696147165  -0.6843496323   0.2168873141
C    3.3737105696   0.8626995313  -1.1426620891
C    2.7435967787  -2.1372300809   0.5504372773
C    3.9535566556   0.9794661600   0.2538683883
C    0.8662757467  -0.4921164976   0.3806608650
C    4.3852207817   0.9207259252  -2.2575479383
C    0.2323996469  -0.4270125095   1.6208152202
C    0.0521732251  -0.4197628318  -0.7458937515
C   -1.1390237432  -0.2733722886   1.7352834352
C   -1.3224022491  -0.2755255326  -0.6622588974
C   -1.9152927940  -0.2004095527   0.5892329469
C    4.9588243727  -2.1565633321   1.6856769975
C    6.1308591581  -2.5457140088   0.0185163672
C   -4.0335587110   0.6222751035  -0.0795189579
C   -3.6597819948   1.8926068927  -0.4981635568
C   -5.2534179023   0.0846058053  -0.4615931117
C   -4.5124423547   2.6244442045  -1.3092454369
C   -6.1115046946   0.8210249301  -1.2634945711
C   -5.7326122172   2.0849119268  -1.6866107096
H    2.5982673626   1.6240634700  -1.2969704126
H    2.3393330262  -2.8083623786  -0.2065105720
H    2.3215189867  -2.4339541184   1.5089885750
H    4.9719615057   0.5748701640   0.3037901998
H    3.9722105042   2.0051683417   0.6238309837
H    4.8831909500   1.8907418191  -2.2525433612
H    5.1446086883   0.1463892425  -2.1417724588
H    3.9122775493   0.8006851192  -3.2320120156
H    0.5006987240  -0.4864846732  -1.7272394026
H   -1.6084417367  -0.2172375944   2.7086372148
H   -1.9115815738  -0.2366164098  -1.5689890907
H    4.5768066216  -1.9523939831   2.6737364043
H    6.9917225366  -2.7262759458  -0.6069235596
H   -2.7160847773   2.3274326328  -0.1940845380
H   -5.5391814480  -0.9049504157  -0.1288470608
H   -4.2230668339   3.6152073942  -1.6321744893
H   -7.0644029333   0.4018216694  -1.5570881385
*