! 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   -2.4892074247  -0.4412904536   1.5032740761
F    0.0653521445   2.9598218048   1.4599761748
F    0.3864563617   4.3808759579  -0.1358610432
F    6.7978788638  -1.5620565562  -1.3035688288
F    5.9275917092  -2.0540434797   0.6137160746
O   -2.7609013793   0.9807232416   1.4193443890
O   -2.8206626225  -1.1748636394   2.7027211687
O   -3.6541721511   1.6758457152  -1.6494901982
O   -1.5690008633   0.9214658745  -1.3553007877
O   -0.7559081674  -2.8177411336   1.2654274252
O    1.8619229461   2.8324586303   0.1419290480
O    5.2550881581  -0.2684331641  -0.5296182258
N   -0.8485198396  -0.5526718581   1.2230729149
N    1.1238335912  -1.6925281404   0.7413088520
N    1.4528968171   0.5965776136   0.4457250191
N    3.1808852597  -0.9705386097   0.1214861273
C   -3.2521637676  -1.2446849842   0.1197833331
C   -3.3973771402  -0.5691808379  -1.0926618697
C   -3.7841351290  -2.5106029553   0.3041301755
C   -4.0892574205  -1.1892274830  -2.1226954181
C   -4.4510287843  -3.1266085324  -0.7441809197
C   -4.6033142593  -2.4673287893  -1.9521383473
C   -2.7626342163   0.7566594581  -1.3579772187
C   -0.2078309866  -1.7524884713   1.0932130351
C    1.9368072464  -0.6356915699   0.4247526275
C    2.2952458187   1.5657817252   0.1288901256
C    3.9903361919   0.0163661999  -0.1955285265
C    3.6144573025   1.3495466577  -0.2140368673
C   -3.1719528963   2.9900366526  -1.9478563010
C    0.5097521589   3.0914447965   0.1962146201
C    5.6503211829  -1.5861608161  -0.6159805196
H   -3.6902377552  -3.0178456045   1.2531465133
H   -0.3446422877   0.3063429996   0.9926233376
H   -4.2160918334  -0.6823652089  -3.0701238825
H   -4.8579055344  -4.1188609623  -0.6069694469
H   -5.1303028910  -2.9427262674  -2.7681983096
H    1.5701679934  -2.5993049212   0.6849643463
H    4.2895614702   2.1483233551  -0.4825353984
H   -2.5017054918   2.9849811636  -2.8065077180
H   -2.6638790673   3.4244153528  -1.0867141593
H   -4.0517769892   3.5831586492  -2.1781041780
H   -0.0820194135   2.4701381058  -0.4755996667
H    4.9293983345  -2.2377957679  -1.1071078882
*