! 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   0.3616736130   0.5448345602  -2.2734120476
Cl  -3.3816552293   3.3951862282   0.1915458689
O    1.2407646466  -1.0064580635   1.9964813114
N   -0.4132927653  -2.3445419991  -0.0972288100
N   -0.9093506896  -2.6699046519   1.0996069326
N   -2.4866836851  -2.8582625439  -0.4693341331
C    1.1709654855  -0.6076940396   0.6482888571
C    2.5203205605   0.0507684279   0.3288594555
C    0.9440688590  -1.8660802221  -0.2171229957
C    3.7264774023  -0.8816464757   0.4115354128
C    0.0341039467   0.4128213652   0.4626399930
C    5.0559245704  -0.1366753497   0.3189358289
C   -0.3849435263   0.9545202083  -0.7550189212
C   -0.6479008833   0.8640095044   1.5925314597
C    5.2798075686   0.5787274303  -1.0055510723
C   -1.4268804241   1.8665026434  -0.8483430574
C   -1.6890152970   1.7738057673   1.5341954416
C   -1.3660007542  -2.4531070286  -1.0218169041
C   -2.0773501708   2.2671411208   0.3032334625
C   -2.1555702886  -2.9707573540   0.8284965961
H    2.6494175654   0.8758324835   1.0370506954
H    2.4747295607   0.5070395229  -0.6599881491
H    1.6196345238  -2.6535970530   0.1179962216
H    1.1440782982  -1.6973962818  -1.2704877019
H    3.7005541068  -1.4371043064   1.3514830216
H    3.6865181660  -1.6258295461  -0.3905462135
H    5.8657581097  -0.8539303222   0.4770413409
H    5.1258918402   0.5826980396   1.1409178337
H    0.5102600611  -1.6184665135   2.1800951339
H   -0.3558760972   0.4968697110   2.5650373356
H    5.2009941048  -0.1124386131  -1.8477847127
H    4.5595657230   1.3816343832  -1.1706210056
H    6.2729090503   1.0289952425  -1.0451603883
H   -1.7232960289   2.2551478593  -1.8126247538
H   -2.1853355033   2.0855109466   2.4426979580
H   -1.2009497950  -2.2398695046  -2.0662528304
H   -2.8461302583  -3.2846323288   1.5955804290
*