! 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   6.8229694288  -0.1497496313   0.0231753167
O   -1.6171189784   0.0069582528  -1.6738337262
N   -3.3512948423   1.4912940685   0.1471786493
N   -4.1949795082   1.1173448850   1.1119351823
N   -5.3311743134   1.8503916596  -0.6705933580
C   -1.3945780690   0.0182379837  -0.2796293318
C   -2.0139985717  -1.1883555097   0.5129752317
C    0.1293872122  -0.1114563180  -0.0544037319
C   -0.8191693474  -1.9515633913   1.0993760807
C    0.2538114421  -0.8828856983   1.2527264358
C   -3.0546075114  -2.0424828461  -0.2280822065
C   -1.9160341370   1.3525097563   0.2821127572
C    0.9494898631   1.1774553737  -0.1421877268
C   -2.4750426287  -2.9998065203  -1.2678784290
C   -3.9001006582  -2.8202839007   0.7773741641
C    2.4242587629   0.8885755101  -0.1039491251
C   -4.0428533532   1.9267813640  -0.9095472303
C    3.0847734936   0.4259033886  -1.2400821317
C    3.1587217256   1.0282569540   1.0696063991
C    4.4332692745   0.1060574909  -1.2120043202
C    4.5093027216   0.7130134784   1.1194821880
C   -5.3680385152   1.3495148810   0.5783614538
C    5.1357795726   0.2507082987  -0.0257505212
H   -2.5444871153  -0.7547690580   1.3654957505
H    0.4793026104  -0.7782018796  -0.8522218021
H   -0.4573304373  -2.7218852366   0.4138347880
H   -1.0674266007  -2.4483458675   2.0382615730
H    0.0411122057  -0.2354566114   2.1105324643
H    1.2517402523  -1.2969992011   1.4020449985
H   -3.7508435590  -1.3646228941  -0.7419764002
H   -1.4637271979   2.1898588228  -0.2495219142
H   -1.6775184780   1.4624814974   1.3396364299
H    0.6938424108   1.8514925280   0.6791424409
H    0.7090216178   1.7033787320  -1.0707031897
H   -2.5378858900  -0.2024471511  -1.8620801057
H   -1.9317266642  -3.8216776972  -0.7976492772
H   -3.2773284407  -3.4476587755  -1.8574400249
H   -1.7933064868  -2.5115671278  -1.9633759418
H   -3.2928717567  -3.5180362298   1.3586945056
H   -4.6723166397  -3.4047306288   0.2732913933
H   -4.4009031286  -2.1500758049   1.4785328155
H   -3.5738778210   2.2979755854  -1.8075378215
H    2.5416713025   0.3128321358  -2.1711669004
H    2.6740495747   1.3897084815   1.9685846933
H    4.9269775887  -0.2497767123  -2.1063297069
H    5.0610064736   0.8287165056   2.0427400774
H   -6.2842702930   1.1561099783   1.1145518187
*