! 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  -0.2421669776  -0.1881457253   2.4698134638
Cl   4.0878657111   1.3787590494  -0.2323972340
N   -1.1717782551  -2.1502563002  -0.7512118383
N   -0.0653355686  -2.3776180275  -1.4611237052
N   -0.1426054948  -3.7342844936   0.3167955713
C   -1.8275916855   0.1738564617  -0.2056399518
C   -2.6980105173   1.3341985110  -0.6927511744
C   -2.0676218381  -1.0646150402  -1.0801144832
C   -0.3574026959   0.5120929503  -0.1655991990
C   -2.6129194120   2.5690913884   0.1945414375
C    0.4368867292   0.3551397784   0.9664767208
C    0.2841831074   0.9573365349  -1.3203503274
C   -3.5183485828   3.6919555446  -0.2882581255
C    1.8003109585   0.6181906923   0.9614366500
C    1.6379146619   1.2334810203  -1.3606861691
C   -1.2019417704  -2.9609091669   0.3091723394
C    2.3884987562   1.0548248557  -0.2100006429
C    0.5186974105  -3.3349784278  -0.7866204405
H   -2.1611188124  -0.0749896130   0.8034532876
H   -2.4340696415   1.5996164431  -1.7214194411
H   -3.7360081098   0.9886046025  -0.7293160676
H   -1.9217968577  -0.8391124200  -2.1356959681
H   -3.0949190670  -1.4071189486  -0.9565330104
H   -2.8783359717   2.2973252010   1.2205166252
H   -1.5809731964   2.9286410193   0.2321747196
H   -0.2906209195   1.0898728383  -2.2285942879
H   -4.5656922735   3.3839260212  -0.3015428448
H   -3.2556911825   4.0067735224  -1.3002072415
H   -3.4426890983   4.5685679648   0.3564586594
H    2.3878490913   0.4819962504   1.8586608456
H    2.0987644224   1.5756231365  -2.2769345564
H   -2.0031044216  -2.9557128756   1.0315168906
H    1.4550612841  -3.7657981266  -1.1057615315
*