! 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    1.1481826005   2.4708321905  -0.7362290683
F    1.6906869282  -2.8722937812  -0.7304453277
F   -0.4438042443  -2.5895964006  -0.7976285970
F    0.7740654723  -1.3089812346   0.4268618001
O    1.2845808363   3.7999695593  -0.1797996133
O    0.9066068844   2.3291543074  -2.1597085462
O    0.4213434571   2.0623749993   2.1287114875
O   -4.6183898432  -2.4185012961   1.5323754841
N   -0.1770533006   1.7238296410  -0.0389451045
N   -1.3581520159   0.7454043822   1.7102456744
N   -2.1952689350   0.0538605172  -0.3467731650
N   -2.9814752704  -0.8452080640   1.6777883381
N   -3.8446662041  -1.6084251313  -0.3823449468
C    2.8838943076   0.2732610061  -0.8211202322
C    2.2621166157  -0.3486747000  -2.0501678402
C    2.5305326418   1.4881640399  -0.2120161644
C    0.8812248928  -0.9954811307  -1.9213441224
C    3.9669775540  -0.4025461315  -0.2618448305
C    3.2436440724   2.0012568123   0.8684003781
C    0.7308815566  -1.9378447403  -0.7617200836
C    4.6736028656   0.0901076112   0.8232508740
C    4.3181405708   1.3025445280   1.3880114550
C   -0.3111100161   1.5529247203   1.3095623697
C   -2.2000367776  -0.0405420395   0.9745422432
C   -3.0252120487  -0.7704708717  -0.9876486301
C   -3.7852442326  -1.5934293857   0.9465468250
C   -3.0048069466  -0.7494742427  -2.4720834986
C   -4.6565565014  -2.4752610021   2.9594239919
H    2.1995957592   0.3824552362  -2.8532366364
H    2.9570691036  -1.1087948945  -2.4051353024
H    0.0863408645  -0.2551192336  -1.8665311431
H    0.6971922308  -1.5608390985  -2.8362846896
H    4.2765199881  -1.3395750152  -0.7059853526
H    2.9697721876   2.9474604139   1.3092695528
H    5.5093862173  -0.4722848223   1.2169311417
H    4.8683225471   1.7083007039   2.2252129629
H   -0.8603034254   1.2481100078  -0.6464614302
H   -1.4340704685   0.6400614769   2.7141978958
H   -2.4341882038  -1.6051018472  -2.8395391441
H   -4.0114466701  -0.8389835425  -2.8751855454
H   -2.5408091338   0.1567287277  -2.8524417820
H   -3.7054808789  -2.8106512040   3.3700569970
H   -5.4286902902  -3.1993347386   3.2014728128
H   -4.9201783873  -1.5102225031   3.3894786691
*