! 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   1.8031742989  -0.2157076834   2.2125359574
Cl   2.9727328031   4.4949086419   0.0193771923
O   -1.3545179778  -0.4379467708  -1.0115030983
O   -0.8446472827  -0.9340308755   1.1048588692
N   -0.1863821564  -2.9588745064  -0.8027009017
N   -0.6537063820  -3.2952943972  -2.0065974790
N   -1.3409492883  -4.7626715746  -0.4619795307
C   -0.2854119286  -0.6023350253  -0.1265258590
C   -2.5738468143  -0.3083502140  -0.2783808681
C   -2.0913002730  -0.2704071020   1.1676430176
C    0.5885295188  -1.7626173569  -0.6100220641
C    0.5452273395   0.6798364541  -0.0510840806
C   -3.3544657921   0.9170273326  -0.7064211600
C   -4.6734656614   1.0280660484   0.0455169095
C    1.4867042194   0.9253434123   0.9476857698
C    0.3995209039   1.6514682568  -1.0370428619
C    2.2341963566   2.0937247799   0.9779696837
C    1.1330324424   2.8253499654  -1.0331754086
C   -0.6105061959  -3.8368149998   0.1100841368
C    2.0459323561   3.0374623334  -0.0158837326
C   -1.3369296640  -4.3809367422  -1.7546151910
H   -3.1742689235  -1.2080146781  -0.4584665695
H   -1.9728322965   0.7594528258   1.5295912021
H   -2.7372673450  -0.8084608305   1.8596057339
H    1.3862800006  -1.9613463788   0.1040909792
H    1.0549141661  -1.5081536909  -1.5601488249
H   -2.7507458266   1.8131893587  -0.5346274420
H   -3.5491092047   0.8648580677  -1.7802374349
H   -5.3002636956   0.1483033183  -0.1114296902
H   -4.5258466458   1.1408440473   1.1214794515
H   -5.2390315224   1.8962078103  -0.2929758008
H   -0.3081642114   1.4932155457  -1.8381249155
H    2.9523028977   2.2604938603   1.7687700225
H    0.9883419243   3.5581318593  -1.8146378061
H   -0.3540276912  -3.7733064523   1.1555964977
H   -1.8489217177  -4.9239710463  -2.5340962916
*