! 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   3.4365982827   1.8095985669  -2.5604459048
S    0.8569021195  -0.4856029225  -1.7617702962
O    0.7886342940   0.3483265080  -2.9362939983
O    0.5483476777  -1.9017349516  -1.8498653994
O    0.6541073371   2.1503160394  -0.4333851088
O   -5.4639473096   1.7091638060   2.4641947254
O   -3.8841345423  -2.1071948144   0.3450359458
N    2.8846610669  -0.9972176267   0.0183641469
N    4.4668608998   0.4811383359  -0.5404763244
N   -0.1967102474   0.0498522186  -0.5909323871
N   -1.3184202443   1.7135618484   0.5785437240
N   -3.3821501946   1.7085363196   1.5312831378
N   -2.5820247343  -0.2349235507   0.4633348440
C    2.4138870650  -0.2729227019  -1.0614091692
C    4.1402716882  -0.5030676388   0.2926287494
C    3.4276808498   0.6243893000  -1.3475781004
C    2.3250544593  -2.0001453236   0.7514682791
C    4.8811154224  -1.0550786407   1.3470399984
C    3.0328677323  -2.5336178148   1.7805857035
C    4.3283479592  -2.0629199277   2.0830055782
C   -0.2251649269   1.3596505405  -0.1781416432
C   -2.4741751467   1.0201934956   0.8661661915
C   -4.5127349027   1.0737465199   1.8062125701
C   -3.7235818833  -0.8580228928   0.7391137620
C   -4.7557420587  -0.2415777294   1.4256907951
C   -5.2446524756   3.0618961205   2.8554851598
C   -2.8364150285  -2.7444979576  -0.3807903830
H    1.3391134091  -2.3411321297   0.4815714058
H    5.8679926867  -0.6630563585   1.5471574482
H   -1.0263087576  -0.5259988045  -0.3801423378
H    2.5853781736  -3.3280712296   2.3590368681
H    4.8797749375  -2.5030103900   2.9020329749
H   -1.3039541357   2.6706092118   0.9064991247
H   -5.6839636280  -0.7469547678   1.6490892158
H   -5.0763646396   3.7090489863   1.9945875365
H   -4.4029357311   3.1522326597   3.5422857824
H   -6.1547233280   3.3712283121   3.3628678931
H   -2.6196902437  -2.2275769900  -1.3163526769
H   -3.2027370025  -3.7415406295  -0.6106427743
H   -1.9278563226  -2.8335287346   0.2163251374
*