! 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   5.2259522688   3.3788721397  -0.6910922073
O   -2.1099302626  -1.0658318218   1.5119665127
N   -0.7224951910  -2.7329989052  -0.5255405298
N    0.4379352588  -2.6140626808  -1.1756025559
N    0.5310754461  -4.3171968372   0.2725804210
C   -1.9359267523  -0.6377342849   0.1788234228
C   -3.1751467352   0.2079983764  -0.2482290163
C   -0.7436911097   0.3443320941   0.0711969826
C   -2.7342036340   1.6882233211  -0.1269776833
C   -1.3483524672   1.6746739301   0.5028124055
C   -4.4977196677  -0.0853009129   0.4826073322
C   -1.8317189701  -1.8393991826  -0.7759618746
C    0.5060314766  -0.0138914367   0.8856585430
C   -5.6170728145   0.7759976566  -0.1039711103
C   -4.9401025091  -1.5455510119   0.4150311798
C    1.6843693306   0.8388927480   0.5056475924
C   -0.6527914835  -3.7534820848   0.3335058198
C    2.0681590887   1.9351500666   1.2711836959
C    2.4150644597   0.5514530777  -0.6457397045
C    3.1517185839   2.7241055167   0.9105186869
C    3.5010253277   1.3257300987  -1.0221484736
C    1.1580463571  -3.5827188846  -0.6656747652
C    3.8620502832   2.4091972242  -0.2357068064
H   -3.3546001826  -0.0062448106  -1.3088483115
H   -0.4672157127   0.4097713774  -0.9880133972
H   -3.4297770273   2.2812259533   0.4682895113
H   -2.6999222301   2.1520848668  -1.1148761842
H   -0.7397868424   2.5313626678   0.2099542713
H   -1.4285867624   1.6984356866   1.5939376115
H   -4.3764078343   0.1903526362   1.5358462978
H   -1.7352723087  -1.4940262359  -1.8038470553
H   -2.7424450522  -2.4336000815  -0.7198515610
H    0.7912160906  -1.0578848494   0.7498386827
H    0.2992546696   0.1204207893   1.9508449643
H   -1.2802530051  -1.4185073657   1.8511097939
H   -6.5573412665   0.5961798096   0.4211395615
H   -5.4156885915   1.8453572820  -0.0366554736
H   -5.7831604791   0.5399649710  -1.1586007061
H   -4.2513111187  -2.2256985754   0.9127865903
H   -5.0584768813  -1.8764620226  -0.6205776437
H   -5.9112472848  -1.6683837882   0.8994654349
H   -1.4774735999  -4.0556537663   0.9606906200
H    1.5197478054   2.1823295222   2.1722598905
H    2.1366339324  -0.2982652086  -1.2588461710
H    3.4367610768   3.5698471439   1.5218622340
H    4.0609557510   1.0820289074  -1.9151354872
H    2.1716472994  -3.7672811877  -0.9866343099
*