! 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    1.9859523549  -1.7803661621   1.3403098363
F    1.6341830718   2.7978744336   1.9876250582
O    1.0649966453   2.1161871392  -0.6638992186
O    2.0748452867  -0.8644288378   2.4635252271
O    2.4592277601  -3.1379290005   1.4979795379
O   -1.5350545002   2.1340426570  -3.1003966386
O   -0.1485895548   0.4163526920  -1.4612342824
O    0.5681102018  -3.1147646471  -0.8716713311
O   -2.5248121966   0.9750494435   2.7564844702
O   -5.4573426921  -0.0476390905  -0.6880913135
N    3.1618879292   0.6969356723  -1.6003261938
N    0.3722762204  -1.7830556778   0.9566028163
N   -1.4437102579  -2.1883932459  -0.4269609154
N   -1.9525400584  -0.5944797604   1.1910375448
N   -3.4529161943  -1.1369912840  -0.5487336369
C    1.7259049638   1.2445954024   0.2392463789
C    2.5803130597   0.2392886664  -0.5038072451
C    2.5527737027   2.1050415682   1.1910523914
C    2.7718167618  -1.0830080907  -0.0894847998
C    3.4878269721   3.0982598461   0.5510432685
C    3.5900269257  -1.9215574415  -0.8330718716
C    4.1985842323  -1.4187400030  -1.9661920782
C    3.9444706755  -0.1041512580  -2.3108045395
C    0.1403058589   1.5836003815  -1.4592154529
C   -0.1145853807  -2.4032137762  -0.1653942457
C   -0.4548853737   2.6331829893  -2.3702844288
C   -2.3105055568  -1.2557794328   0.1016991448
C   -2.7393336658   2.1147077023  -2.3613164404
C   -2.8260749135   0.2869417519   1.6687610518
C   -4.3075679390  -0.2458060765  -0.0663531907
C   -4.0522881910   0.5138953693   1.0687346399
C   -1.2476370767   0.8044006048   3.3640853395
C   -5.7333877913  -0.7760950196  -1.8824530583
H    0.9714604291   0.7363008717   0.8400750461
H    3.1101086989   1.4358613250   1.8474817808
H    3.9828387805   3.6799409403   1.3280934380
H    4.2646221319   2.5851575551  -0.0119766458
H    2.9743720903   3.7852052057  -0.1197789458
H    3.7515508159  -2.9492010546  -0.5422889571
H    4.8444183145  -2.0359280389  -2.5727863271
H   -0.2720199512  -1.1613866083   1.4695157096
H    4.3900856171   0.3260718692  -3.1988628749
H    0.3239033514   2.9421826391  -3.0741535202
H   -0.7175096777   3.5206378201  -1.7810725039
H   -3.5048729507   1.6627496617  -2.9902219606
H   -2.6547856608   1.5321954574  -1.4404157018
H   -3.0637846500   3.1248078179  -2.0923089573
H   -4.7576482287   1.2359577165   1.4527280007
H   -1.0515963065  -0.2353442038   3.6240857472
H   -0.4498724091   1.1918880666   2.7292061194
H   -1.2750932821   1.3936613164   4.2762117202
H   -5.7820412026  -1.8485995427  -1.6985045315
H   -6.7052228543  -0.4269299116  -2.2193659301
H   -4.9937280090  -0.5779575712  -2.6579872303
H   -1.7776001066  -2.6515727633  -1.2616456127
*