! 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 "WATER"
end
*xyz 0 1
S   -2.2779958007  -0.1545347152  -1.5421788577
F   -0.2226395638   3.0594306577   0.2164163036
F    0.8949446722   4.6001419871  -0.8027606866
F    5.9448268156  -1.9665512835  -0.2145190817
F    6.8772598408  -1.4632301128   1.6687645943
O   -2.1685333111  -0.5931640495  -2.9176053524
O   -2.6194778683   1.2264889613  -1.2571491137
O   -2.5131705928   0.4866332997   1.5744972181
O   -4.6136125691   1.2530042936   1.5167473396
O   -0.6291716493  -2.5798725736  -1.2532263865
O    2.0048406418   2.9799475124   0.0920074667
O    5.3125358794  -0.1701034494   0.9405120432
N   -0.8053523920  -0.3700954646  -0.7889461427
N    1.1698797584  -1.5397959450  -0.3827551731
N    1.5437016923   0.7432500517  -0.1208099830
N    3.2281865000  -0.8549903015   0.2836199231
C   -3.4325687240  -1.2153123648  -0.7161604076
C   -4.0923931978  -0.7975623991   0.4410956963
C   -3.7802767754  -2.3989049092  -1.3499048946
C   -5.1187424182  -1.5872605018   0.9414116821
C   -4.7846508478  -3.1909158158  -0.8160048239
C   -5.4566716267  -2.7821156784   0.3232769800
C   -3.7760999071   0.4429239696   1.2086081268
C   -0.1255477780  -1.5546201323  -0.8475352765
C    2.0014162011  -0.4973434586  -0.0607099219
C    2.4078199761   1.7018865648   0.1676064868
C    4.0537694692   0.1244744737   0.5857252504
C    3.7116309342   1.4663012098   0.5473815772
C   -2.0994188787   1.6032578970   2.3692740086
C    0.8387103043   3.2848979596  -0.5816764978
C    5.7075539462  -1.4931535518   1.0210202090
H   -3.2874340883  -2.7064368302  -2.2597266435
H   -0.3314512618   0.4634643069  -0.4365945140
H   -5.6499627802  -1.2747557702   1.8301130699
H   -5.0492225096  -4.1171833047  -1.3059399819
H   -6.2524251080  -3.3881363880   0.7333086851
H    1.6044353310  -2.4536934238  -0.3613975822
H    4.4078305395   2.2577344148   0.7802297154
H   -2.3035460504   2.5482652378   1.8699506861
H   -1.0309083576   1.4844924411   2.5163895755
H   -2.5979288490   1.5911348423   3.3375519213
H    0.7161762838   2.7467494689  -1.5208922946
H    5.0030021092  -2.1394280564   1.5401541273
*