! 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   0.5265943342  -1.8245608557  -2.0822956960
Cl   5.2432025504  -0.7990637518   0.2291920164
O   -1.0516987067   1.4333652294   0.4268418347
N   -2.8587741524  -0.7599275877   0.5975853502
N   -4.9193986169  -0.0593830646   0.9346418025
C   -0.6981608099   0.1864691702  -0.0943626543
C   -1.4273881296  -0.8683641632   0.7355626094
C    0.7940401662  -0.0610208219  -0.0354995748
C    1.4352310347  -0.9546590119  -0.8871129990
C    1.5763830397   0.5881002898   0.9145601270
C   -3.6093890986  -1.2548165681  -0.4335059354
C   -3.6913101501  -0.0413616045   1.3805902773
C   -0.8158976641   2.5191305099  -0.4334504515
C    2.7989890231  -1.1927187639  -0.8201711658
C    2.9405580253   0.3724938528   1.0088071519
C    3.5404856194  -0.5179014159   0.1339914021
C   -4.8796406350  -0.8146588903  -0.2032167522
C   -1.3189378606   3.7844094131   0.1697689894
C   -1.9714661627   3.9015155551   1.3185750630
H   -1.0350665504   0.1043238627  -1.1375816642
H   -1.1178653168  -1.8686006569   0.4338563239
H   -1.1649845151  -0.7573962265   1.7886880714
H    1.1120591680   1.2872153325   1.5977874222
H   -3.1876075371  -1.8706685311  -1.2111158957
H   -3.3450726684   0.4630532945   2.2695620296
H    0.2542699853   2.6330410407  -0.6581598650
H   -1.3109950623   2.3604614346  -1.4030639475
H    3.2698096324  -1.8892669218  -1.5000306347
H    3.5227394427   0.8943358560   1.7554765215
H   -5.7631185597  -1.0083005144  -0.7919924495
H   -1.1136820950   4.6683337575  -0.4259104696
H   -2.3024939054   4.8704222362   1.6694138604
H   -2.2073981694   3.0543401100   1.9489967735
*