! 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   -2.5407994855   0.2990015390  -1.5344213235
F    0.5473886798   3.4890591237  -1.2375037444
F   -0.2951175834   2.9068483572   0.6694424302
F    6.7945934998  -1.6852654194   0.5554028658
F    4.9244277872  -2.5139320515   1.2541627223
O   -2.9318523219   0.1684063924  -2.9217576754
O   -2.8137495968   1.5343097742  -0.8229954129
O   -3.1308348007   0.5756806089   2.4425327683
O   -1.2057597987  -0.0541435447   1.4903897191
O   -0.8557683715  -2.0096633817  -2.1751975145
O    1.9375610851   3.0259376324   0.4633270152
O    5.0860519138  -0.3727906567   0.6643241694
N   -0.8881356250   0.1250196830  -1.4190397829
N    1.0331596333  -1.1833239127  -1.2652261894
N    1.4408951304   0.9408208713  -0.4068943749
N    3.0461457377  -0.7819781602  -0.2943245686
C   -3.2574669230  -1.0425643309  -0.6228328519
C   -3.2408432438  -1.0455355872   0.7730678117
C   -3.9583612999  -2.0036705646  -1.3330251439
C   -3.9493689020  -2.0322611434   1.4441169987
C   -4.6442646233  -2.9943454546  -0.6467491986
C   -4.6424364505  -3.0055022225   0.7376804129
C   -2.4052486657  -0.1103430179   1.5842117472
C   -0.2804128019  -1.0752436435  -1.6575471611
C    1.8614899417  -0.2929527252  -0.6270849131
C    2.2872743406   1.7526899715   0.1998652965
C    3.8670620143   0.0553740763   0.3023842764
C    3.5547851133   1.3732015623   0.5915283709
C   -2.4322537277   1.4430544637   3.3445203031
C    0.7251746004   3.5658203311   0.0921683708
C    5.4704673568  -1.6662926132   0.3641065069
H   -3.9826373771  -1.9870518998  -2.4125695682
H   -0.3758702055   0.8346216846  -0.8868836160
H   -3.9499471666  -2.0550316629   2.5254950478
H   -5.1842014761  -3.7495665316  -1.2001743028
H   -5.1829827317  -3.7714211039   1.2762609237
H    1.4365455439  -2.0953076579  -1.4373816006
H    4.2433129399   2.0461831272   1.0799263292
H   -1.8600744637   2.1951913224   2.8041899554
H   -1.7689183183   0.8778321604   3.9977411271
H   -3.1984370368   1.9296295420   3.9394813557
H    0.7238963902   4.6047004163   0.4105591367
H    5.2288572611  -1.9813678229  -0.6492613029
*