! 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  -6.9196154519   3.9336206808   0.4860201902
O    1.4679970586   0.9516152290   0.0289378364
O    1.2647391844  -3.0697304863   0.9533128003
N    2.1846790490  -1.1850831337   0.0754045151
N    3.2698252036  -3.2561838022  -0.0886560515
N    4.5602579711  -4.4085507586  -1.4490406719
C    0.9944715419  -0.3261500689   0.3748668779
C    3.3715909628  -0.3376729302  -0.2233446636
C    2.8404341233   0.9870476141   0.3249932917
C   -0.1733431400  -0.6831664726  -0.5448459321
C    0.6151519957  -0.3539039954   1.8550688100
C    4.6414076947  -0.7278532156   0.5197748395
C    3.6297788247  -0.2015343556  -1.7212832227
C   -1.4896899640   0.0466169566  -0.2793303302
C    2.1544665836  -2.4914673090   0.3656262053
C   -1.4797295938   1.5560786660  -0.5366830783
C   -2.8313449238   2.1661307329  -0.2954907633
C    4.0440061058  -4.0663295001   0.7055621904
C    3.6115668583  -3.5217532679  -1.3790743681
C   -3.7987731817   2.2037159021  -1.2966057488
C   -3.1636695484   2.6800371424   0.9555824734
C    4.8485660464  -4.7470003058  -0.1535133544
C   -5.0565852382   2.7415029979  -1.0663141292
C   -4.4151694949   3.2220839925   1.2072897525
C   -5.3539010489   3.2489908176   0.1885111413
H    3.0248735484   1.0726606453   1.4036279414
H    3.2887417928   1.8518505155  -0.1632939605
H   -0.3709003772  -1.7513315204  -0.4450016991
H    0.1420091139  -0.5188290870  -1.5793116305
H   -0.0274231732   0.4988933316   2.0766655599
H    1.4897396424  -0.2817352808   2.5027347569
H    0.0753383470  -1.2567196082   2.1261138825
H    4.4459974830  -0.9755083329   1.5640148138
H    5.3223947507   0.1253248040   0.5105795665
H    5.1741154020  -1.5568305945   0.0579816795
H    2.7286694957   0.0848428887  -2.2640594092
H    4.3830691341   0.5686075916  -1.8941454376
H    4.0143318456  -1.1195031914  -2.1606021776
H   -2.2430363872  -0.4085064867  -0.9283654041
H   -1.8293993316  -0.1504709623   0.7410399208
H   -1.1644832551   1.7420028842  -1.5669791174
H   -0.7484873027   2.0480630741   0.1051020497
H    3.9755503054  -4.0590502924   1.7805224544
H    3.1018620954  -3.0697203260  -2.2150338341
H   -3.5709355089   1.8136637575  -2.2816857163
H   -2.4309972816   2.6656418198   1.7541776562
H    5.6197018554  -5.4610274526   0.0898211435
H   -5.7921237511   2.7671604151  -1.8592039076
H   -4.6498211923   3.6220809297   2.1847540990
*