! 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   5.2267753393   0.9478090853   1.3433518497
O   -1.5881400238   1.2937259272   1.1005202621
N   -0.2375581312  -1.8906479531  -0.0170585286
N    0.5185431052  -1.9451561704  -1.1147567211
N   -0.2795099653  -3.9765092837  -0.6214453620
C   -1.4624677167   0.3029052860   0.0996374269
C   -2.8088970074  -0.3677360507  -0.2471853574
C   -1.0435394946   0.9176764086  -1.2593050731
C   -3.5008217115   0.6908630170  -1.1053177825
C   -2.3731444474   1.2670456848  -1.9724933978
C   -3.6359002880  -0.9832755959   0.8930291611
C   -0.4458880458  -0.6677565622   0.7216578730
C   -0.1080870086   2.1287460355  -1.1916191146
C   -4.4131094777   0.0165275895   1.7458172859
C   -4.5930380780  -2.0309650499   0.3275971636
C    1.2313006410   1.8626139145  -0.5649121678
C   -0.7033476960  -3.1104130630   0.2661207714
C    2.1726118269   1.0690751646  -1.2171429653
C    1.5581171774   2.3708507412   0.6886551171
C    3.3998196176   0.7832106869  -0.6411682511
C    2.7828108901   2.0987573038   1.2823950945
C    0.4629326122  -3.2104232812  -1.4437343672
C    3.6941217019   1.3010746417   0.6106336411
H   -2.5550928050  -1.1893050924  -0.9304172338
H   -0.5391961592   0.1365234436  -1.8320468450
H   -3.9448781993   1.4737499394  -0.4838079881
H   -4.3177861308   0.2794733678  -1.6984344028
H   -2.3878511235   0.8327594239  -2.9727134335
H   -2.4858518010   2.3452904306  -2.1041877104
H   -2.9479161048  -1.5102297842   1.5651924102
H   -0.7947355417  -0.9564368881   1.7140430120
H    0.5201503206  -0.1840535252   0.8543894810
H   -0.5996649557   2.9554686561  -0.6734228823
H    0.0430281562   2.4743633169  -2.2186389906
H   -2.2152353022   1.9653807296   0.8131827069
H   -5.1658860028   0.5515074781   1.1629589893
H   -4.9443307804  -0.5058879374   2.5441884809
H   -3.7678298472   0.7545977411   2.2190381998
H   -5.3195028017  -1.5844260106  -0.3556471712
H   -5.1565206447  -2.5224252342   1.1230796763
H   -4.0605350634  -2.8090289740  -0.2234102150
H   -1.3322288244  -3.3173505207   1.1181559171
H    1.9450290444   0.6551235754  -2.1915336306
H    0.8445558094   2.9864767387   1.2215866570
H    4.1160826219   0.1630551898  -1.1636169629
H    3.0172524158   2.5022621940   2.2585391810
H    0.9830511428  -3.5979001831  -2.3060125014
*