! 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   2.3063838702  -0.9719786791  -2.0077677270
Cl  -7.2436568334   0.1900527904   1.1932364599
O    3.9649709085   0.1606407408   0.0582788940
O    3.1824114863   1.4197990114   1.7022584842
O   -2.1790172679   1.1573805232  -1.5855804840
N    2.3998821353  -2.1035562328   1.1562289391
N    1.1191256428  -2.4441317956   0.9933915938
N    2.4608927687  -3.9535869518   0.0277354447
C    2.8744181241   0.3134704493   0.8987673843
C    4.3834490250   1.4709633211  -0.3067652273
C    2.7766414745  -0.8932134311   1.8359508384
C    3.9483183707   2.3127102140   0.9060462860
C    1.5590958874   0.5520329342   0.1541140857
C    5.8670529330   1.4767542945  -0.5767002219
C    1.2232737701   0.0143111368  -1.0855250326
C    0.5776132777   1.3032626038   0.8005870119
C   -0.0281712455   0.2145728944  -1.6521492937
C   -0.6761851179   1.5156885784   0.2606885305
C   -0.9740131145   0.9597948367  -0.9746119099
C    3.1878679575  -3.0088031742   0.5697714140
C    1.2044064122  -3.5567275745   0.3119572382
C   -3.3280668049   0.9154034709  -0.8879900545
C   -4.4305701249   1.6987078323  -1.1983372215
C   -3.4290186578  -0.0979139770   0.0568359749
C   -5.6404052691   1.4713534655  -0.5632789852
C   -4.6374197519  -0.3186731376   0.6988696471
C   -5.7351972010   0.4670191403   0.3869748105
H    3.8438293454   1.7932617117  -1.2050305740
H    2.0386204374  -0.6986008628   2.6126555508
H    3.7424029782  -1.0474038333   2.3180041879
H    4.7948331802   2.6643418833   1.4999240010
H    3.3559107615   3.1798611669   0.6035414308
H    6.4320943357   1.1592784447   0.3010867668
H    6.1212187391   0.8217493820  -1.4104343245
H    6.1901544053   2.4842479845  -0.8406243107
H    0.7981298940   1.7411562471   1.7644874311
H   -0.2695344907  -0.2150887240  -2.6153653233
H   -1.4027408511   2.1109853191   0.7982046805
H    4.2640346453  -2.9411131749   0.5719893544
H    0.3266035118  -4.1094872561   0.0154636610
H   -4.3470844305   2.4843404483  -1.9380238451
H   -2.5818402743  -0.7263167663   0.3003046105
H   -6.4971213975   2.0844299496  -0.8072462962
H   -4.7137716557  -1.1079570819   1.4341931745
*