! 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   0.5850825080   0.5739921794   2.4204617467
Cl  -7.1734680114   2.0510533172   0.6163443231
O    3.8560546741   0.1809509273  -0.6738653731
O    3.1668955452   1.3004478030   1.1538754821
O   -2.3274212583  -0.3610825539  -1.6151696104
N    3.0899213637  -2.3173951547   0.4946997539
N    1.9535860695  -3.0101329229   0.6022548647
N    3.2812796919  -3.9237981306  -0.9503754841
C    2.9591713110   0.1404779088   0.4018753751
C    4.6513784253   1.3637313255  -0.6004445739
C    3.2962540182  -1.1060834329   1.2458454237
C    4.4592156004   1.7882751434   0.8450191735
C    1.5263903433   0.0830863575  -0.0999730479
C    6.0793331359   1.0615536506  -0.9814725115
C    0.4177558777   0.2353300572   0.7284811903
C    1.2744880056  -0.2155439721  -1.4359820833
C   -0.8803904259   0.1107026763   0.2581974894
C   -0.0085977688  -0.3399878470  -1.9348621897
C   -1.0896329844  -0.1759553170  -1.0827075178
C    3.8695765188  -2.8692159230  -0.4401314386
C    2.1133481407  -3.9638835934  -0.2776320182
C   -3.4264416742   0.2268715515  -1.0498040471
C   -3.4683492802   1.5891730548  -0.7835940801
C   -4.5323028713  -0.5736237510  -0.8103272299
C   -4.6234849550   2.1500680186  -0.2643498954
C   -5.6935798842  -0.0109317090  -0.3035638771
C   -5.7285136127   1.3463118549  -0.0278155746
H    4.2360491737   2.1192968956  -1.2772791986
H    2.6711357866  -1.1583793035   2.1337653622
H    4.3361458040  -1.0601710436   1.5728190975
H    5.2222299937   1.3516253942   1.5019076315
H    4.4684134149   2.8695149521   0.9802316670
H    6.6818253689   1.9674089557  -0.9027683206
H    6.5159135119   0.3060689395  -0.3259330738
H    6.1516212094   0.7092287923  -2.0105560759
H    2.1040898544  -0.3516218456  -2.1145169764
H   -1.7090152784   0.2262501909   0.9438916239
H   -0.1700650546  -0.5708079460  -2.9796610248
H    4.8406199526  -2.4821123388  -0.7042130977
H    1.3608479687  -4.7199816757  -0.4403959857
H   -2.6119988407   2.2215016576  -0.9810032270
H   -4.4925932673  -1.6336549408  -1.0252656356
H   -4.6573960708   3.2104790893  -0.0550372633
H   -6.5581468406  -0.6344247540  -0.1209845494
*