! 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  -5.8343535543  -0.8622798311  -1.9373284254
S    1.5358786712  -0.6652666915   1.8733262224
O    2.6546632744   2.2808013889  -0.7875923831
O    1.8251360536  -1.6329149233   2.9077726606
O    1.5623163012   0.7523969313   2.1797217834
O    0.7330885499   1.1424223347  -0.6939270927
O    0.2941403181  -3.1127955430   0.7615573860
O   -3.0061145410   2.2370913995   0.7801398878
N   -0.0020027848  -0.9268752156   1.2988647144
N   -1.6293773415  -2.1121335613   0.1391285775
N   -2.2965953448   0.0910149347   0.4753326514
N   -3.5888535290  -1.4250269182  -0.7850619415
C    2.6240144015  -0.9729752132   0.5046591786
C    2.7978759687  -0.0230246188  -0.5053736929
C    3.3836592104  -2.1313000116   0.5349413002
C    3.7553973297  -0.2607307360  -1.4817477168
C    4.3192139361  -2.3625067763  -0.4627135517
C    4.5055655940  -1.4282645888  -1.4662633723
C    1.9360110172   1.1886410994  -0.6510608835
C   -0.3909950316  -2.1148010966   0.7436269373
C    1.9584286198   3.5176196798  -1.0409227375
C   -2.5348883277  -1.0982401516  -0.0580977167
C    2.9931773455   4.5895276264  -1.2594449982
C   -3.1878328744   1.0436243360   0.2644942937
C   -4.3393525513   0.8210022519  -0.4948431198
C   -4.4594334464  -0.4561278272  -0.9855750945
C   -1.8431798802   2.4829653280   1.5714866312
H    3.2618567223  -2.8518893500   1.3303595079
H    3.9091474398   0.4602130496  -2.2734226670
H   -0.6042992941  -0.1081652735   1.1552774366
H    4.9050517076  -3.2709919102  -0.4433647895
H    5.2395043262  -1.6006475703  -2.2416808612
H   -1.8860330985  -2.9989202759  -0.2753160012
H    1.3224196284   3.7532044360  -0.1853480202
H    1.3199419640   3.4024104246  -1.9185187403
H    2.4865232093   5.5338336920  -1.4590169179
H    3.6237488111   4.7293006378  -0.3813317597
H    3.6297327907   4.3667649096  -2.1161040390
H   -5.0685406426   1.5963296849  -0.6718318153
H   -1.9409537841   3.5060062685   1.9244653768
H   -0.9346049734   2.3959112849   0.9760777870
H   -1.7930038907   1.8140755694   2.4305717059
*