! 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   0.7451352191   0.5568111455   2.3855303163
Cl  -7.1649406516   1.8679768348   0.5405324489
O    3.9446398061   0.2476141182  -0.7945513959
O    3.3238318882   1.3533870039   1.0505024963
O   -2.2371522335  -0.4813417654  -1.5745119780
N    3.0263105360  -2.2502573207   0.6427157217
N    3.5824506111  -2.7792913187  -0.4475553629
N    1.8113101906  -3.9902226582   0.1939605868
C    3.0895329601   0.1926013220   0.3134842930
C    4.5220148219   1.5513959581  -0.8947689250
C    3.4782037320  -1.0040509116   1.1988037161
C    3.6977140097   2.3445988325   0.1107971197
C    1.6393055777   0.0883822330  -0.1589215165
C    6.0009197812   1.4988780855  -0.5723849530
C    0.5456965118   0.2129624554   0.6956723974
C    1.3596351924  -0.2123029506  -1.4895148794
C   -0.7604199150   0.0446062666   0.2616365267
C    0.0676883038  -0.3667228197  -1.9562313975
C   -0.9951201541  -0.2442879074  -1.0749019172
C    1.9653344028  -2.9758268550   1.0079636209
C    2.8246946473  -3.8205133184  -0.6780900392
C   -3.3487132204   0.0970600181  -1.0272129014
C   -4.4630947995  -0.7104909190  -0.8555313009
C   -3.4037472197   1.4503865319  -0.7207224379
C   -5.6442107663  -0.1648330742  -0.3786492698
C   -4.5805034708   1.9936979648  -0.2308376336
C   -5.6931783244   1.1836953486  -0.0637723514
H    4.3721965010   1.9193985909  -1.9127295760
H    3.0356745375  -0.9032175242   2.1874420718
H    4.5610146548  -1.0303980566   1.3190832184
H    4.2614640921   3.1219087706   0.6259116577
H    2.8178486775   2.8026453223  -0.3550406652
H    6.4548466670   2.4783383730  -0.7292292059
H    6.1782779255   1.2078402388   0.4648613234
H    6.5179248209   0.7892308211  -1.2194465603
H    2.1766921563  -0.3262737862  -2.1867670217
H   -1.5746583143   0.1275783186   0.9693699144
H   -0.1149894776  -0.5932952490  -2.9985019243
H    1.3548487759  -2.7360114072   1.8650126700
H    3.0122280448  -4.4883426234  -1.5046149468
H   -4.4133065757  -1.7631795694  -1.1024309197
H   -2.5436831461   2.0917915416  -0.8653717570
H   -6.5142128927  -0.7944818709  -0.2510013522
H   -4.6245567140   3.0474133171   0.0083685331
*