! 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   0.2484773312   1.5979665953  -1.4666074568
Cl  -7.6375967125   0.0064109120  -0.5455502847
O    3.5554608393  -0.5100584417   0.7699621217
O    3.0409906997   0.7494314580  -1.0086888851
O   -2.3611507063  -2.4666819824   0.0425072090
N    3.7113600146   2.2883957098   1.2329554089
N    4.6337050739   1.9910869940   2.1508525225
N    5.4061423123   3.5495507919   0.7403164829
C    2.5825652599   0.3473164544   0.2452788387
C    4.5147845737  -0.8337852119  -0.2366537348
C    2.4633153520   1.5778853084   1.1523516782
C    3.8599380906  -0.2930571002  -1.4983845136
C    1.2395519648  -0.3740995837   0.1559011769
C    4.7966589671  -2.3156311289  -0.2653815816
C    0.1570370035   0.1121148889  -0.5752513545
C    1.0425670842  -1.5655334739   0.8496075837
C   -1.0563525583  -0.5565643873  -0.6312557488
C   -0.1609325999  -2.2462494745   0.8246884672
C   -1.2125306078  -1.7385302850   0.0782895659
C    4.1874170632   3.2132108936   0.3955759244
C    5.6292737770   2.7709473031   1.8183054223
C   -3.5702043038  -1.8400711277  -0.0953856861
C   -4.4700567487  -2.3733833838  -1.0043528319
C   -3.9193081884  -0.7460365359   0.6856432100
C   -5.7305428185  -1.8110922843  -1.1377162345
C   -5.1734559729  -0.1752635839   0.5432339555
C   -6.0707587525  -0.7106797018  -0.3683318897
H    5.4396676295  -0.2868762789  -0.0218391757
H    2.1746876553   1.2688881153   2.1557977230
H    1.6973077562   2.2588277113   0.7847293264
H    4.5720108404   0.1226867764  -2.2101109833
H    3.2644017211  -1.0611799837  -2.0084369484
H    3.8958840903  -2.8937718442  -0.4782558364
H    5.2132969957  -2.6599125181   0.6814247466
H    5.5303335132  -2.5349688706  -1.0428362631
H    1.8506996923  -1.9752866916   1.4382316699
H   -1.8613073731  -0.1538609660  -1.2314773549
H   -0.2801486369  -3.1676341823   1.3793508537
H    3.6158509358   3.6104784227  -0.4281553300
H    6.5512384275   2.7860981115   2.3788699367
H   -4.1928869241  -3.2285371335  -1.6067672846
H   -3.2287633807  -0.3329348827   1.4099131414
H   -6.4318027722  -2.2279000630  -1.8476021413
H   -5.4447069055   0.6775807153   1.1501414770
*