! 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   0.9924801535   0.0470892709   2.5617510119
Cl   5.5047149605   0.1687142492  -0.3162542550
O   -1.8613150693   1.7198186326   1.0674248329
N   -2.6393329129  -0.9633768417   0.1100818908
N   -2.9045669263  -2.1294664561  -0.4959608580
N   -4.7149740063  -1.3935182143   0.5918353983
C   -1.6503211603   1.7360380298  -1.3356125833
C   -1.1958753444   1.0918340824  -0.0042401304
C   -1.2119065775   3.2039140247  -1.3019385984
C   -3.1599055615   1.6808453769  -1.5733624044
C   -0.9348523775   1.0367819055  -2.4911028500
C   -1.3326870597  -0.4113257529   0.0718244651
C   -0.3026860913  -1.2553863146   0.0895287728
C    1.1181014983  -0.8658440689   0.0099278760
C   -3.7376882601  -0.5399828732   0.7596134912
C    1.8099479937  -0.2853493919   1.0706450020
C    1.8404148853  -1.1356139343  -1.1510714391
C   -4.1534330366  -2.3434956799  -0.1826205206
C    3.1550364932   0.0393594844   0.9850824272
C    3.1833187121  -0.8233300126  -1.2679407070
C    3.8281426270  -0.2331252850  -0.1931546679
H   -0.1198486235   1.2956497292   0.0528119120
H   -1.4241571774   3.6845504330  -2.2590335721
H   -1.7302206575   3.7724015154  -0.5296504537
H   -0.1378055930   3.2979778709  -1.1227835965
H   -3.7306666409   2.1015703945  -0.7449034509
H   -3.5224426041   0.6703145674  -1.7636121072
H   -3.4069480825   2.2688766836  -2.4601665254
H   -1.2435580297  -0.0044113683  -2.6012303101
H    0.1506657266   1.0535069729  -2.3693864336
H   -1.1617335182   1.5408638872  -3.4323032671
H   -0.4935171185  -2.3228783660   0.1239369340
H   -1.3928858364   1.5130475084   1.8833936997
H   -3.7733892365   0.3701936054   1.3322092097
H    1.3338043070  -1.5973301897  -1.9885744821
H   -4.6835777251  -3.2164378969  -0.5303659589
H    3.6651357545   0.4922354031   1.8239647524
H    3.7137668331  -1.0381587802  -2.1851164978
*