! 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   5.9532449445   0.0776567527  -0.2860912972
O   -2.6199723921   0.2682690982   1.6857683559
N   -2.1736661933  -1.8310477089  -0.2575923674
N   -2.3022392249  -2.6053473927   0.8208279484
N   -0.6597051595  -3.3689412282  -0.4967024878
C   -3.1403330605   1.8810498053  -0.1339954605
C   -2.4249955586   0.5783418732   0.3343379713
C   -2.4122391502   2.1858506460  -1.4484996804
C   -0.9771177539   0.8278472115  -0.0561261959
C   -0.9465884326   1.7992080475  -1.2037363902
C   -2.9623281649  -0.6395290488  -0.4462641503
C   -2.8666756709   2.9996755786   0.8754215645
C   -4.6461587536   1.7397381180  -0.3102728747
C    0.0298374337   0.2224538684   0.5817231300
C    1.4684252684   0.2632225594   0.3303130021
C   -1.1869370533  -2.2933136341  -1.0292040394
C    2.0995700545   1.0435809888  -0.6448732798
C    2.2806162408  -0.5661293934   1.1134969807
C   -1.3793656205  -3.5139710501   0.6333441140
C    3.4711862053   0.9917723013  -0.8325707227
C    3.6511107437  -0.6306338582   0.9372168274
C    4.2402090125   0.1523327084  -0.0426810482
H   -2.5212375196   3.2313415230  -1.7404846144
H   -2.8320171546   1.5932649034  -2.2650870585
H   -0.3505395687   2.6782883170  -0.9443167669
H   -0.4843569398   1.3709467360  -2.0973553386
H   -2.9840028263  -0.4346289700  -1.5157934265
H   -3.9825581182  -0.8635056599  -0.1345890631
H   -3.3779015942   2.8290774608   1.8247547354
H   -1.8034447589   3.1356233046   1.0893143838
H   -3.2363492649   3.9493008730   0.4844991988
H   -5.0865978282   2.7017447463  -0.5808036714
H   -4.9173951566   1.0362100361  -1.0991647588
H   -5.1288143170   1.4117791664   0.6130368339
H   -2.1470201284   0.9115717596   2.2255838576
H   -0.2431286554  -0.4353274122   1.4025824171
H   -0.9003831300  -1.8258066019  -1.9583477305
H    1.5348984225   1.7069372733  -1.2812716786
H    1.8274080573  -1.1847285084   1.8786033829
H   -1.2207574927  -4.3166274585   1.3371752572
H    3.9321424597   1.6037195117  -1.5962258950
H    4.2482435611  -1.2869467162   1.5557194433
*