! 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   1.7974180995  -0.2842358106   2.1365078622
Cl   3.8155879210  -3.6517735159  -1.4674416498
O   -1.4806068535   0.3313200676  -0.9057801300
O   -0.9917915909   0.0949876081   1.2746479112
N   -0.7886358677   2.7623579168   0.4803479707
N   -1.7228632713   3.3178742166  -0.2945678418
N   -1.9787111453   3.9708890699   1.8326488854
C   -0.4407975847   0.3777903476   0.0155801092
C   -2.5691105748  -0.3873107443  -0.3357456684
C   -2.3934592797  -0.0747034480   1.1384019054
C    0.1506092694   1.7956588777  -0.0203055591
C    0.6421783013  -0.6441788661  -0.3183115765
C   -3.8715067562   0.0791763174  -0.9433029648
C   -3.9906079085  -0.2343977839  -2.4264994116
C    1.6662681752  -0.9928069102   0.5607648207
C    0.6457479591  -1.2502485903  -1.5705304891
C    2.6432837687  -1.9148509753   0.2173686357
C    1.6071443022  -2.1756798285  -1.9396922929
C   -0.9587809555   3.1525676015   1.7464275750
C    2.6007203632  -2.5020007554  -1.0348755239
C   -2.4072311797   4.0385202224   0.5557429550
H   -2.4380829129  -1.4640834127  -0.5122225980
H   -2.9284935458   0.8372715114   1.4284840747
H   -2.7207425762  -0.8870205328   1.7877180993
H    0.4220392002   2.0592788637  -1.0416572198
H    1.0542726716   1.8556377328   0.5833060026
H   -3.9806230279   1.1532388618  -0.7732067457
H   -4.6833857524  -0.4094009233  -0.3979329537
H   -4.9599386097   0.0816207256  -2.8124980644
H   -3.2255161856   0.2765892822  -3.0112804618
H   -3.8960217367  -1.3047463558  -2.6170928093
H   -0.1242023989  -0.9972524613  -2.2856573172
H    3.4244027592  -2.1685787839   0.9202519512
H    1.5755013865  -2.6292077413  -2.9203765081
H   -0.3209469050   2.8264247487   2.5529226157
H   -3.2485770331   4.6384326748   0.2450255663
*