! 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    1.3678533185   1.7728047104   1.5568166360
F    1.1765652854  -0.6994337108  -1.8034734664
F   -0.1325312613  -1.8500506553  -0.5442904882
F    0.8868276494  -2.8002592830  -2.1820227839
O    1.4576730559   0.9738150618   2.7664236092
O    1.2559071572   3.2123754875   1.6882854964
O    0.2020631737   2.5159826532  -1.0428596102
O   -5.2889603326  -1.4501408104  -1.2935649168
N    0.0125952106   1.1831725831   0.7856648230
N   -1.6015248161   1.1729533901  -0.8877870136
N   -2.1937693882  -0.2676443903   0.8414023365
N   -3.4512534717  -0.1178873735  -1.1404517470
N   -4.0668383540  -1.6455159318   0.5489357543
C    3.1277098556   0.0936160900   0.2039699149
C    2.4896543831  -1.1637497035   0.7504047592
C    2.7106948493   1.4049388644   0.4616047491
C    2.1898438678  -2.2320773563  -0.3018278119
C    4.2527444851  -0.0494185945  -0.6069750048
C    3.3608780608   2.5073375721  -0.0873319319
C    1.0370953074  -1.8951748540  -1.2043744585
C    4.9125656873   1.0375786837  -1.1535251431
C    4.4622653528   2.3241648399  -0.9012144367
C   -0.4110066839   1.6825775722  -0.4130672199
C   -2.4340545174   0.2244261450  -0.3618743481
C   -3.0314400902  -1.2253603864   1.2480437950
C   -4.2363216732  -1.0423930635  -0.6267848364
C   -2.7618702225  -1.8370620052   2.5733342922
C   -5.5830146075  -0.8558438416  -2.5596859703
H    3.1929055090  -1.6057764687   1.4598983291
H    1.5919203796  -0.9705026777   1.3302022871
H    3.0616263780  -2.4369831754  -0.9234533729
H    1.9506903169  -3.1671792432   0.2072172654
H    4.6307680870  -1.0419976793  -0.8149204923
H    3.0155525430   3.5100091820   0.1151277962
H    5.7810896095   0.8758982477  -1.7777462737
H    4.9643986641   3.1812947087  -1.3275627224
H   -0.5988539138   0.5091861708   1.2711196016
H   -1.8681451619   1.5294472696  -1.7964788947
H   -1.7582097930  -2.2625928035   2.5943978868
H   -2.8016097613  -1.0746220089   3.3520524829
H   -3.4820783453  -2.6159308096   2.8048046884
H   -4.7847456351  -1.0332723991  -3.2786783409
H   -5.7577972555   0.2148228738  -2.4647541003
H   -6.4921186119  -1.3396240344  -2.9038664569
*