! 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   4.8449465022   4.5219553234  -0.7713968169
O   -1.1628397801  -0.9441447819   1.7740182747
N   -1.9274454654  -3.1622878951   0.0992935793
N   -2.7939158020  -3.6909415259  -0.7682137682
N   -2.9141322429  -4.7558354004   1.1952591593
C   -1.3434867958  -0.7121654804   0.3896447994
C   -2.7802304623  -0.1370582235   0.1003295568
C   -0.2592507411   0.2716933048  -0.1037743706
C   -1.0561654767  -2.0680411598  -0.2715361982
C   -3.8769703009  -0.8868515371   0.8697965696
C   -2.8636301388   1.3333388254   0.5424377132
C   -3.1153576146  -0.1972185679  -1.3929004267
C    1.1940957227  -0.2003697260   0.0323942892
C    2.1396578128   0.9509853303  -0.1648719651
C   -2.0072999946  -3.8086501565   1.2640247522
C    2.6538653562   1.2531048060  -1.4224322984
C    2.4819259648   1.7801995765   0.9007656648
C   -3.3631657094  -4.6407714540  -0.0687733309
C    3.4849132027   2.3466806873  -1.6196230130
C    3.3111227016   2.8772733314   0.7255470019
C    3.8062521359   3.1522308973  -0.5395275028
H   -0.3583611082   1.1934234563   0.4742893710
H   -0.4444877243   0.5512566011  -1.1437891175
H   -1.0932955657  -1.9848939992  -1.3551584243
H   -0.0432931811  -2.3746314545  -0.0120517226
H   -4.0288635751  -1.9076600381   0.5263726113
H   -4.8294010329  -0.3730888690   0.7211329749
H   -3.6937363595  -0.9126309492   1.9436957255
H   -2.5752018027   1.4859391289   1.5862788416
H   -3.8945225609   1.6808802606   0.4561928601
H   -2.2561196870   1.9991225224  -0.0706486328
H   -4.0727550503   0.2949866390  -1.5770325803
H   -2.3750957623   0.3119734553  -2.0128022709
H   -3.2123702334  -1.2206412941  -1.7569648359
H    1.4234798193  -0.9763847954  -0.7002282267
H    1.3517164512  -0.6368677508   1.0213793148
H   -1.2808620486  -0.1171833845   2.2534965294
H   -1.3967787665  -3.5659603100   2.1179290535
H    2.4070333778   0.6254678567  -2.2705483689
H    2.0976257061   1.5691671560   1.8918565487
H   -4.1288275892  -5.2752229124  -0.4879569097
H    3.8756710036   2.5624561986  -2.6049625807
H    3.5670378270   3.5063929598   1.5674883245
*