! 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   0.4463101879   0.8631978041  -2.2746523793
Cl   2.8638494046   4.4209522284   0.8686246352
O   -1.3198319579  -0.6272061858  -0.4583650363
O   -0.6288086404  -1.1957183763   1.5921354035
N    0.0019863555  -3.0960262437  -0.4475809925
N   -0.4683892065  -3.3959133819  -1.6596526779
N   -1.0884555769  -4.9505424229  -0.1729004185
C   -0.1836828852  -0.7773520308   0.3373071565
C   -2.4931511519  -0.6669106858   0.3504354475
C   -1.9344471888  -0.6769246961   1.7675938574
C    0.7302072978  -1.8785921463  -0.2103541944
C    0.5894252218   0.5369334706   0.4377234629
C   -3.4318178206   0.4837548433   0.0327027947
C   -2.8041019890   1.8688255279   0.0643587657
C    0.8977638296   1.3267107029  -0.6687316161
C    1.0374938752   0.9797867320   1.6781648433
C    1.5939676385   2.5195791707  -0.5461195340
C    1.7348245945   2.1665152027   1.8309247699
C   -0.3827222557  -4.0255879788   0.4312799767
C    2.0021291500   2.9316272123   0.7101641875
C   -1.1102654120  -4.5148076470  -1.4483851598
H   -3.0159833309  -1.6097383857   0.1525238554
H   -1.9058840190   0.3213350643   2.2187194883
H   -2.4863264809  -1.3376815264   2.4349739645
H    1.5321773010  -2.0667385422   0.5038669963
H    1.1896951114  -1.5802973745  -1.1495896483
H   -3.8774148284   0.3119260474  -0.9499888818
H   -4.2594029267   0.4275929773   0.7466546656
H   -2.3315753008   2.0997170205   1.0202981374
H   -2.0522653232   1.9870116268  -0.7153297578
H   -3.5680092758   2.6290058235  -0.1039356291
H    0.8371499393   0.3871525452   2.5598761435
H    1.8133411708   3.1147643436  -1.4216796217
H    2.0620360164   2.4816121558   2.8118856339
H   -0.1164793779  -3.9964964633   1.4756810749
H   -1.6111066496  -5.0420312503  -2.2457592958
*