! 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   4.0454246934  -3.6192880141  -0.1318301795
O   -0.1492401963   1.3528478885  -1.6010997872
N   -1.0069444321   2.7181491882   0.6481255349
N   -2.2644457274   2.7717862336   1.0937819526
N   -1.7181795518   4.6897033991   0.0805786833
C   -1.9816593249  -1.0308343173   0.6217853326
C   -2.5609319873  -0.5738320698   1.9270205428
C   -3.4072997441  -1.3423859668   0.9598986222
C   -1.6867933016  -0.0881293317  -0.5245621328
C   -0.2903544055   0.5849451633  -0.4283107081
C   -1.8739383039  -0.8460053616  -1.8382777275
C   -0.1839943348   1.5420959823   0.7851897535
C    0.8137890882  -0.4600477324  -0.3343586740
C    1.2108980394  -1.0069818325   0.8852211744
C    1.4465021672  -0.9163239463  -1.4888762092
C    2.2017533510  -1.9737542557   0.9564405214
C    2.4372021563  -1.8854741986  -1.4361315254
C   -0.6980017570   3.8671652590   0.0430866285
C    2.8087337332  -2.4086994611  -0.2097577428
C   -2.6507099431   3.9685215354   0.7312544379
H   -1.3101818109  -1.8821164627   0.6829500446
H   -2.7747531072   0.4804285335   2.0478373097
H   -2.2317180265  -1.0721836275   2.8308342161
H   -3.6673731618  -2.3665217967   1.1959419658
H   -4.1833422233  -0.8007301206   0.4309880887
H   -2.4276663831   0.7195289588  -0.4989844906
H   -1.2065183488  -1.7074734921  -1.9103995177
H   -1.7146599539  -0.2204772960  -2.7152668762
H   -2.8944271004  -1.2271662426  -1.8932493979
H    0.8487918723   1.8803406569   0.8840444366
H   -0.4545649123   1.0570726357   1.7188542551
H    0.7460814248   1.7078190925  -1.6488765455
H    0.7503435415  -0.6947027787   1.8128581296
H    1.1698332827  -0.5232165502  -2.4575945585
H    2.4919454969  -2.3791664233   1.9161887711
H    2.9102766622  -2.2240842311  -2.3480467162
H    0.2711303171   4.0646257803  -0.3868164102
H   -3.6396019582   4.3388622629   0.9528849090
*