! 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  -4.2343277766   1.2863901332  -2.8125734871
O    1.6005133273   1.3815387078  -0.5767611941
O    1.9687783733  -1.3400583701   2.5063043787
N    1.6287097949  -0.6559369861   0.3681487705
N    1.7769918574  -2.9357388094   0.9026189199
N    2.5526627475  -4.8788286959   0.2212728426
C    1.7544127440   0.7961645201   0.6909622937
C    1.0590225819  -0.8360030981  -0.9951639871
C    0.6502008117   0.6161855932  -1.2704263891
C    0.6255179459   1.2417112285   1.6346807057
C    3.1323748623   1.1712568750   1.2003122191
C    2.1072252101  -1.2737047382  -2.0127748729
C   -0.1720651743  -1.7297773410  -1.0505656513
C    0.4419931456   2.7591728197   1.7112182117
C    1.7940127494  -1.5696737938   1.3279574020
C   -1.0246668265   3.1548489632   1.9299125531
C   -1.8889963115   2.7312729472   0.7748230755
C    0.8855551707  -3.8840497534   1.3412263984
C    2.7722014211  -3.5967226353   0.2521543622
C   -1.7968509810   3.3836907662  -0.4536939940
C   -2.7387981362   1.6327725218   0.8682240888
C    1.3710608091  -5.0698395059   0.8850687227
C   -2.5162716640   2.9526650988  -1.5569231142
C   -3.4643677215   1.1813476954  -0.2259208941
C   -3.3417722569   1.8452435188  -1.4343044964
H    0.6943166512   0.8664263751  -2.3296767719
H   -0.3696444786   0.8152395664  -0.9184153288
H    0.8099874043   0.8410967545   2.6302517556
H   -0.3026350963   0.7737668438   1.2975184817
H    3.2289833734   2.2571951663   1.2301202635
H    3.9123043751   0.7821791955   0.5453282457
H    3.3056821223   0.7990043602   2.2068509542
H    2.9902752403  -0.6344495696  -1.9827425495
H    1.6859569192  -1.2161047203  -3.0173548641
H    2.4251536051  -2.3035897957  -1.8638240656
H    0.0645151867  -2.7918445605  -1.0220343358
H   -0.8715628385  -1.5059947654  -0.2436867202
H   -0.6927150037  -1.5477267443  -1.9927393127
H    1.0434075556   3.1730066783   2.5234061442
H    0.7920934396   3.2402343632   0.7956973811
H   -1.0816650068   4.2382311481   2.0598133277
H   -1.3965172025   2.7085353894   2.8555392435
H   -0.0014863835  -3.6303426955   1.8973682535
H    3.6377636317  -3.0884132895  -0.1431543662
H   -1.1476334690   4.2450822497  -0.5596383987
H   -2.8364161641   1.1065937908   1.8104716667
H    0.9336270974  -6.0493035005   0.9999301950
H   -2.4298849434   3.4737629926  -2.5011279069
H   -4.1120201017   0.3199735319  -0.1311379482
*