! 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   -2.5598225477   0.0514834664  -1.6055096695
F    0.2499458308   4.3765411268   0.7524622107
F    0.2648389004   3.4274761050  -1.1890932299
F    5.7581762246  -2.0243633303  -0.5679375420
F    6.3227027939  -1.9843571307   1.5173265238
O   -3.0585326179  -0.2916279421  -2.9189663650
O   -2.7968739420   1.3804876308  -1.0711022026
O   -3.1316933455   0.9729364943   2.3056347168
O   -1.1891791202   0.4314671477   1.3389156757
O   -0.8436625728  -2.2819757124  -2.1960968476
O    1.7460679638   2.8637443115   0.3839688355
O    4.9443364958  -0.4799647951   0.8147504229
N   -0.8988457700  -0.0940417087  -1.5982122395
N    1.0413764726  -1.3562569242  -1.3739840445
N    1.3726671989   0.7871733027  -0.5204514014
N    2.9898005025  -0.9099246863  -0.2962952104
C   -3.1543897779  -1.1517272701  -0.4454643782
C   -3.1065214737  -0.9057147279   0.9286003919
C   -3.7648221436  -2.2893607549  -0.9480975846
C   -3.6872925570  -1.8251794849   1.7899464999
C   -4.3183142326  -3.2102986796  -0.0709999163
C   -4.2809497078  -2.9772553243   1.2927491786
C   -2.3669255606   0.2453151492   1.5228786062
C   -0.2806279862  -1.3040473485  -1.7537639724
C    1.8181688176  -0.4462014409  -0.6989412884
C    2.1572636570   1.6062279997   0.1586293948
C    3.7507630236  -0.0646888098   0.3664510675
C    3.3945638024   1.2438991882   0.6475338182
C   -2.5165258120   2.0719106016   2.9895813320
C    0.4336132905   3.2103461965   0.1275595379
C    5.2970833989  -1.8097373399   0.6768312012
H   -3.8209930187  -2.4642060419  -2.0120743433
H   -0.3642184154   0.6521574807  -1.1435164292
H   -3.6606447870  -1.6564168228   2.8578689961
H   -4.7837528242  -4.1039454591  -0.4617304837
H   -4.7164060263  -3.6902355415   1.9788286599
H    1.4673446474  -2.2653746307  -1.5025170863
H    4.0246327864   1.9182681318   1.2074211941
H   -3.3013056335   2.5254329935   3.5860327943
H   -2.1328842749   2.8081741599   2.2835051558
H   -1.7118679437   1.7337872822   3.6407566337
H   -0.2886396981   2.4763348284   0.4821187649
H    4.4961035558  -2.5101646244   0.9047389370
*