! 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  -0.0586946358   0.3884521810   2.8184238479
Cl   4.1194191385   1.6126394455  -0.2781695271
N   -1.3170412253  -2.1951926719  -0.8735724859
N   -1.2592066501  -2.9957448209   0.1901255911
N    0.1095224344  -3.7363106218  -1.4186341806
C   -1.6764638122  -0.0226928174   0.2250681363
C   -2.6075213961   1.1980333532   0.3031925440
C   -2.1254360027  -0.9967749095  -0.8636908888
C   -0.2260478648   0.3756620331   0.1005996572
C   -2.6253278506   2.1160758031  -0.9124453478
C    0.5820540400   0.5848059965   1.2177920097
C    0.3716317954   0.5884506087  -1.1408175212
C   -3.5569802533   3.3016987298  -0.7075393980
C    1.9130076579   0.9624488657   1.1184052588
C    1.6956533050   0.9684836602  -1.2780476138
C   -0.4927571372  -2.6427577988  -1.8219024554
C    2.4599234927   1.1471408451  -0.1383902573
C   -0.3929309234  -3.9042776916  -0.1810557926
H   -1.7978039517  -0.5602179150   1.1673875991
H   -3.6218317112   0.8340656997   0.4964898223
H   -2.3269842936   1.7799671824   1.1859483764
H   -2.0834695847  -0.5724656688  -1.8656609414
H   -3.1639962607  -1.2769489876  -0.6826672951
H   -1.6181179426   2.4867522712  -1.1195844561
H   -2.9410710467   1.5662216743  -1.8038365184
H   -0.2087182178   0.4646236572  -2.0455981705
H   -3.5604990983   3.9589336607  -1.5782087501
H   -3.2535766660   3.9006962566   0.1535446601
H   -4.5857423220   2.9783788351  -0.5365480910
H    2.5091313990   1.1083802880   2.0083755183
H    2.1180018811   1.1204198893  -2.2615759927
H   -0.3736699923  -2.1539255377  -2.7762325244
H   -0.1169476044  -4.7242486635   0.4638981440
*