! 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   0.4888205059  -1.9225401750  -1.9543624337
Cl   5.2316721815  -0.7458083546   0.2291321523
O   -1.0678223304   1.4708216987   0.3952132524
N   -2.8688996315  -0.7604364978   0.6123418603
N   -4.9509863471  -0.0703047874   0.8110552461
C   -0.7160494131   0.2059806957  -0.0852769410
C   -1.4386507297  -0.8198060184   0.7874287715
C    0.7780708584  -0.0321194439  -0.0274254757
C    1.4110077026  -0.9782777276  -0.8274604481
C    1.5707248228   0.6797158156   0.8673039731
C   -3.5963520833  -1.4484059542  -0.3201530821
C   -3.7289975338   0.0596729263   1.2548306141
C   -0.8761133385   2.5180256702  -0.5228638621
C    2.7754550061  -1.2104595822  -0.7615241244
C    2.9367347449   0.4725591020   0.9578429139
C    3.5275257252  -0.4733155871   0.1371050106
C   -4.8800070660  -1.0103239813  -0.1776577874
C   -1.1909248413   3.8316976771   0.1026404409
C   -1.5721904243   4.0397516767   1.3560343883
H   -1.0603382424   0.0843413169  -1.1221731995
H   -1.1014145218  -1.8274949689   0.5488518757
H   -1.1976624807  -0.6441736843   1.8370303344
H    1.1124202704   1.4216490906   1.5079624839
H   -3.1501033412  -2.1777039076  -0.9765541301
H   -3.4079082064   0.7220426923   2.0435551966
H    0.1580984773   2.5449680355  -0.8957157973
H   -1.5119137341   2.3758185109  -1.4087474914
H    3.2392876250  -1.9498097788  -1.3998131519
H    3.5276600769   1.0439716572   1.6601622604
H   -5.7522299485  -1.3284978725  -0.7278375787
H   -1.0820042280   4.6757119357  -0.5711821568
H   -1.7750090597   5.0437375393   1.7059503888
H   -1.6997317123   3.2426066261   2.0764732571
*