! 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  -4.0316038495  -0.6429130253   1.9710545848
Cl  -1.0496825583   2.3081900878   1.3231929364
O    1.9673444593   2.2177267434   1.3965129882
N    2.4892378398   0.1823972994   0.6170677488
N   -1.3980226328   2.1892329616  -1.2241695996
C    1.3185367410  -1.6818489367  -0.5082278241
C    2.4722684984  -0.9313592534  -0.2521495698
C    0.0105287278  -1.4003698901   0.1185199329
C    1.4170295044  -2.7505600702  -1.4012548854
C    3.6819999186  -1.2876354571  -0.8430715021
C   -1.1297953460  -1.2967252614  -0.6758009766
C   -0.1271050150  -1.2787414367   1.5001554229
C    2.6192660210  -3.0994680453  -1.9922359918
C    3.7628234849  -2.3701631468  -1.7010521329
C    1.7786035783   1.3363588890   0.5790799550
C    0.7823739660   1.5066992309  -0.5182641262
C   -2.3748994614  -1.0645135345  -0.1156318705
C   -1.3675303184  -1.0568436822   2.0746258521
C   -2.4822218560  -0.9460278130   1.2598425380
C    1.1324147495   1.2849433056  -1.8438389456
C   -0.5107121012   1.9786525196  -0.2848478540
C    0.2038610798   1.5048622760  -2.8472687548
C   -1.0536138265   1.9496426034  -2.4841481818
H    0.5332468710  -3.3407052078  -1.6087682524
H    4.5638950003  -0.6942979740  -0.6349652300
H    3.2402641035   0.1923659878   1.2957596688
H   -1.0483842953  -1.3767005118  -1.7525112366
H    0.7365328265  -1.3715427438   2.1454328923
H    2.6635546463  -3.9435717064  -2.6675610472
H    4.7125631897  -2.6331554515  -2.1476519351
H   -3.2457758257  -0.9694882526  -0.7497490874
H   -1.4579891095  -0.9674190677   3.1485270456
H    2.1305883172   0.9544823117  -2.0987401331
H    0.4522639948   1.3403274991  -3.8858731196
H   -1.8143112959   2.1361989252  -3.2323907219
*