! 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
O   -2.4502021243  -0.3124725046   1.0888691088
O   -0.1102046075   3.1855021948  -1.4191918928
O   -1.5895364500   0.9322087580  -1.4190665222
O   -3.3497164150  -1.5652271411  -0.5230149064
N   -0.0697163166  -0.2821820543  -0.2928154820
C   -0.9597920821  -1.4409688691  -0.3678224038
C    1.2933799102  -0.4429747216   0.1020258866
C    1.6898151890  -0.1375536964   1.4054622700
C    2.2065682564  -0.9280526195  -0.8462337705
C   -0.4939261792  -2.5853411647   0.5246625009
C   -0.4928962882   0.8583921532  -0.8918162683
C   -2.3868205404  -1.0884032745   0.0228213380
C    3.0290514355  -0.3238393143   1.7475013489
C    3.5315089601  -1.0984071066  -0.4668107993
C    0.7470156429   0.3987365401   2.4402746710
C    1.7739034444  -1.2773231274  -2.2390620457
C    3.9413176210  -0.7994467336   0.8244740323
C    0.4692661406   2.0415382798  -0.8793000071
C   -3.7451638712   0.0681273655   1.5484931908
C   -0.9582047154   3.8740516343  -0.5267112148
H   -1.0156126602  -1.8025165573  -1.3987179897
H   -1.2007630724  -3.4113648682   0.4459764061
H    0.4782856608  -2.9652524259   0.2140300972
H   -0.4301297009  -2.2918015130   1.5724618988
H    3.3541503363  -0.0908178400   2.7545947169
H    4.2489629160  -1.4701677942  -1.1880771357
H    0.7995460140  -0.1962982351   3.3533445651
H    1.0175747006   1.4201217385   2.7164451764
H   -0.2877430702   0.4082535496   2.1112282111
H    2.6390802836  -1.4349054993  -2.8827040220
H    1.1896827878  -2.2011207564  -2.2602189612
H    1.1625332261  -0.5014690102  -2.7035982218
H    4.9767289207  -0.9376296369   1.1084954185
H    0.8446839995   2.2147042647   0.1387723388
H    1.3443584852   1.7955647825  -1.4902211262
H   -3.5793959539   0.7172691849   2.4043957305
H   -4.3308679440  -0.7965383137   1.8630652121
H   -4.2931723298   0.6180936645   0.7824196385
H   -1.3168116618   4.7666501445  -1.0393736997
H   -0.4227539290   4.1906766512   0.3768896650
H   -1.8284467569   3.2850407733  -0.2208993332
*