! 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   0.4532323006  -1.1307140908   2.2594158009
Cl   0.7657720697  -5.2609221707  -1.0894302011
O   -0.5772466006   1.0850327878   0.6205000839
O    0.0649253245   1.3420512605  -1.4879101715
N    1.6924537804   2.6896411749   0.4550799198
N    1.5540220209   3.1224335986   1.7096113607
N    1.5298068058   4.8446037409   0.2801057613
C    0.4134233625   0.7259982968  -0.2854914966
C   -1.7981494801   1.2866435490  -0.0873107904
C   -1.3504659345   1.3461776978  -1.5567908245
C   -2.8032363077   0.1831508095   0.1983468948
C    1.7673468765   1.2849261630   0.1547842792
C    0.5114419157  -0.7915719332  -0.4557393563
C   -4.1545232159   0.4054413075  -0.4785836085
C    0.5186202309  -1.6796907732   0.6191946833
C    0.6209258719  -1.3369965175  -1.7313356099
C   -4.9280470984   1.6076839277   0.0460262913
C    0.5960507118  -3.0518351743   0.4335758112
C    0.7003393165  -2.7027144105  -1.9463938530
C    1.6671506436   3.7247567184  -0.3881748966
C    0.6794287944  -3.5512514665  -0.8541105691
C    1.4638846991   4.4174866647   1.5570154835
H   -2.1935034997   2.2517740318   0.2402436213
H   -1.7142876137   0.4848092030  -2.1287576208
H   -1.6693997891   2.2540758081  -2.0679682930
H   -2.9495254606   0.1058001271   1.2795478416
H   -2.3875861918  -0.7742184308  -0.1312412956
H    2.4959948101   1.1196598541  -0.6391668124
H    2.1303763003   0.7758151477   1.0445343381
H   -4.7563354108  -0.4945230631  -0.3322271961
H   -4.0249535364   0.4971944752  -1.5620972871
H    0.6421246897  -0.6818264525  -2.5912712541
H   -5.9190295237   1.6589372006  -0.4074372109
H   -5.0657784889   1.5478519054   1.1277760272
H   -4.4307219289   2.5546958151  -0.1700796570
H    0.5907473132  -3.7174843703   1.2855300561
H    0.7750724104  -3.0905789380  -2.9527210827
H    1.7657920051   3.6191604780  -1.4567060821
H    1.3515192206   5.0826501211   2.3994863468
*