! 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  -5.6213100593  -0.3094634525   0.4896693164
O    2.6453725321  -0.6083751707  -1.7133218167
O    0.0810759306  -0.8861267742  -0.7259830188
N    1.1381917223   1.0854621279  -0.0771009841
N    1.0910432302   1.8734416626   1.0033126318
N    1.1338496777   3.1060573823  -0.8615433794
C    3.6255180158  -0.9217257974   0.5217516308
C    2.3950351382  -1.0562779712  -0.4058350348
C    1.1145791917  -0.3585042989   0.0608360156
C    4.7400837381  -1.7830720773  -0.0846073479
C    4.1382756363   0.5120266912   0.6515793775
C    3.2892628517  -1.4790122405   1.9060244863
C    1.1575680284   1.8369370384  -1.1856013206
C   -1.2165467459  -0.7005150251  -0.3710194545
C    1.0967563629   3.0734341155   0.4861529310
C   -2.1543816867  -1.2567533585  -1.2381150514
C   -1.6447255938  -0.0226491345   0.7644196887
C   -3.5063136050  -1.1413780141  -0.9757400473
C   -3.0043016091   0.0935510889   1.0253914756
C   -3.9268099218  -0.4625424951   0.1591837751
H    2.1331154814  -2.1247847262  -0.4051020682
H    0.9506573322  -0.5580993965   1.1221138419
H    4.4156322413  -2.8128706850  -0.2563709884
H    5.1087519478  -1.3827481028  -1.0311520580
H    5.5963627173  -1.8233771417   0.5909573484
H    5.1057979958   0.5145817973   1.1586584998
H    3.4744789029   1.1431923346   1.2413530560
H    4.2834544438   0.9848477778  -0.3209271832
H    2.8632170678  -2.4839902632   1.8492589497
H    2.5870039844  -0.8496990724   2.4557550250
H    4.1912055752  -1.5456946820   2.5170838494
H    3.1456282562  -1.2791833055  -2.1866852645
H    1.1763272229   1.4324791797  -2.1834658132
H    1.0702716347   3.9590714557   1.1016261651
H   -1.8196905060  -1.7864171654  -2.1209926290
H   -0.9567287897   0.4318434420   1.4633520194
H   -4.2242596008  -1.5786548824  -1.6562664214
H   -3.3283071031   0.6263697277   1.9090857619
*