! 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  -2.3361543473   0.7711965993   2.5176078720
Cl   5.0448823492   1.2020137511  -2.8878429367
Cl  -3.0426617394   4.8001807083  -0.9684017376
S    0.6750310116  -2.4875620844   1.0385906450
N   -2.1364852035  -2.8520027994   0.2426962416
N   -0.0368834941   0.0234413334   0.7577837889
N   -1.8023979770  -4.0257078009  -0.2996298425
N   -3.1845645571  -4.3255199411   1.4361756713
C   -1.5907878700  -1.6120290353  -0.2403174505
C    2.1394866951  -1.5636867831   1.5904715680
C   -0.3622753234  -1.1727290693   0.5273436248
C    2.8620887412  -0.8748472127   0.4709629968
C    3.0343491904   0.5045505632   0.4825097975
C    3.3814772332  -1.6026253854  -0.5959773325
C   -0.7927809723   1.1069386519   0.3291706526
C    3.7088105167   1.1513060872  -0.5425552648
C    4.0535002182  -0.9733404533  -1.6313107868
C   -2.9575450848  -3.0462400396   1.2805911478
C   -1.8628977702   1.6005197038   1.0758254326
C   -0.4366769872   1.7906137175  -0.8317327965
C    4.2097622304   0.4041578543  -1.5953262312
C   -2.5589601400   2.7341251780   0.6889592454
C   -1.1221285215   2.9206426813  -1.2389120218
C   -2.1800588250   3.3848354178  -0.4727839491
C   -2.4537305716  -4.8789846088   0.4463859571
H   -2.3628516473  -0.8450808304  -0.1981727591
H   -1.3242268385  -1.7428120436  -1.2899048861
H    2.7683796805  -2.3274125522   2.0529315883
H    1.8486752030  -0.8648222865   2.3735385827
H    2.6344348945   1.0906656456   1.2993923833
H    3.2574093171  -2.6783588799  -0.6317498054
H    3.8329179712   2.2255796001  -0.5185192674
H    4.4486880871  -1.5522230278  -2.4551409199
H   -3.3619318864  -2.2396906301   1.8727857457
H    0.3988612186   1.4273577032  -1.4157524533
H   -3.3858509806   3.0964754118   1.2842344504
H   -0.8287787406   3.4315971060  -2.1454250894
H   -2.4064567320  -5.9418445298   0.2679752728
*