! 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
S   -2.5287484766  -0.3576916305   1.5157739450
F    0.2278467462   3.0072442115   1.7664687944
F    0.3579437547   4.4220995261   0.1375165182
F    6.5901833724  -1.6108649598  -1.5571521499
F    5.8734783040  -2.0799903350   0.4282440201
O   -2.7763359267   1.0609829882   1.3449014889
O   -2.9544063267  -1.0303176078   2.7212394299
O   -3.3744167569   1.5353683019  -1.9685768673
O   -1.3615985062   0.8290779312  -1.3003045880
O   -0.7898834624  -2.7590136700   1.5093332037
O    1.8299142018   2.8497058194   0.2224759152
O    5.1290155340  -0.2954097061  -0.6706919690
N   -0.8747486092  -0.4960949314   1.3637987822
N    1.0901360755  -1.6596768945   0.9273365524
N    1.4230553261   0.6213649741   0.5792347655
N    3.1046238612  -0.9684270250   0.1464748483
C   -3.1971390611  -1.2275905734   0.1219671512
C   -3.2291107866  -0.6330789422  -1.1410537564
C   -3.7730511944  -2.4678301838   0.3446292843
C   -3.8515761973  -1.3107635240  -2.1796248232
C   -4.3700858737  -3.1416032435  -0.7104525907
C   -4.4084856239  -2.5643941556  -1.9678067890
C   -2.5447191752   0.6570341952  -1.4527371617
C   -0.2401126422  -1.7041781552   1.2887812348
C    1.8895408853  -0.6171382415   0.5352211121
C    2.2475510902   1.5783949488   0.1891147062
C    3.8965224224   0.0065159332  -0.2443966959
C    3.5339057853   1.3434354492  -0.2516911290
C   -2.8311696415   2.7945176252  -2.3783642856
C    0.5013401663   3.1319490942   0.4554982624
C    5.5020380816  -1.6178349949  -0.7785684500
H   -3.7674865985  -2.9115199630   1.3294104544
H   -0.3527725711   0.3432442261   1.1014106078
H   -3.8884586471  -0.8698496288  -3.1668392910
H   -4.8102240502  -4.1143568014  -0.5404428243
H   -4.8791390309  -3.0841946134  -2.7911924391
H    1.5320936476  -2.5693638496   0.8856195464
H    4.1954654534   2.1314519958  -0.5791051159
H   -2.0589156373   2.6677933318  -3.1361107058
H   -2.4253230402   3.3430506292  -1.5284178777
H   -3.6624938539   3.3527770123  -2.7979014363
H   -0.1853421154   2.5223682497  -0.1317006595
H    4.7368981700  -2.2648597849  -1.2046016717
*