! 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   0.7104958940  -0.2289897863   2.9338292207
Cl   3.6465306227   2.7801336327  -0.3391681599
O   -2.1680264221  -0.4244299973  -0.5347488132
O   -1.9711561264  -0.3669813249   1.6849330969
N   -0.0449993794  -2.4681632739  -0.5821603698
N    1.2846209369  -2.4773150059  -0.4638293067
N    0.6843601352  -2.8792796313  -2.5823158975
C   -1.2696485474  -0.6425514155   0.5154923654
C   -3.2028719916   0.4599035019  -0.0920464780
C   -2.8410036528   0.7038226774   1.3737641325
C   -0.8882387160  -2.1273743837   0.5335715890
C   -0.0376307737   0.2484171732   0.3455620726
C   -3.2740548662   1.7253891916  -0.9219620638
C   -3.5739900507   1.4754288018  -2.3910475706
C    0.8904152865   0.4718075107   1.3602189977
C    0.2295273790   0.8210148593  -0.8940434056
C    2.0187060824   1.2534543916   1.1621315499
C    1.3527354762   1.5961369932  -1.1252233060
C   -0.3897711309  -2.7012360977  -1.8517831165
C    2.2387146170   1.8102428578  -0.0852070143
C    1.6789769851  -2.7303351327  -1.6844994468
H   -4.1516870164  -0.0816556876  -0.1716724798
H   -2.3424289953   1.6709995513   1.5120274040
H   -3.7010647944   0.6622880455   2.0404873846
H   -1.7966451977  -2.7289953636   0.4983138364
H   -0.3512535666  -2.3792813946   1.4453261277
H   -4.0603277430   2.3508124897  -0.4886401427
H   -2.3424970165   2.2882721747  -0.8144733557
H   -3.6594425100   2.4172097074  -2.9341705857
H   -2.7888465507   0.8909157177  -2.8727714408
H   -4.5145940749   0.9360634689  -2.5208734497
H   -0.4554537422   0.6582271761  -1.7138434901
H    2.7168140929   1.4181500386   1.9711839504
H    1.5259712977   2.0229878815  -2.1033419257
H   -1.4140852560  -2.7412196773  -2.1872922372
H    2.7244034808  -2.8168347892  -1.9378116198
*