! 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   -2.3456716967  -0.5268589158   1.4950740272
F    0.0229562984   2.9292046752   1.3750304415
F    0.3645187115   4.3769327517  -0.1910041636
F    5.8947888815  -1.9671742005   0.6631201730
F    5.3649662867  -2.0699255357  -1.4359881516
O   -2.6533865163   0.8906155487   1.4760847429
O   -2.6078539927  -1.3041678953   2.6863320163
O   -3.6171064388   1.6521984394  -1.6387837463
O   -1.5367605005   0.8782062378  -1.3650564976
O   -0.5692502597  -2.8553322951   1.1733888272
O    1.8852833023   2.8803069620   0.1426745337
O    5.4225265358  -0.0635143696  -0.4300459779
N   -0.7169287606  -0.5921924986   1.1540892057
N    1.2775248989  -1.6778768757   0.6443083337
N    1.5406169238   0.6235189590   0.3920373040
N    3.3350331556  -0.8821435055   0.1173403173
C   -3.1634224727  -1.2985353809   0.1260497518
C   -3.3732848648  -0.5920818870  -1.0601451023
C   -3.6953732093  -2.5645315719   0.3093507920
C   -4.1302464228  -1.1814528238  -2.0618487350
C   -4.4304899140  -3.1484027921  -0.7120033427
C   -4.6481941794  -2.4581985485  -1.8917518748
C   -2.7328444997   0.7252502331  -1.3453313717
C   -0.0472732960  -1.7739242822   1.0031017216
C    2.0709968652  -0.5895173336   0.3752952269
C    2.3614876825   1.6256152173   0.1278545619
C    4.1223269132   0.1377652761  -0.1454711486
C    3.7001919077   1.4574981789  -0.1554498467
C   -3.1169758560   2.9407022629  -2.0182414935
C    0.5200228549   3.0895078247   0.1340240890
C    5.9850444719  -1.3199386824  -0.5102767524
H   -3.5561604135  -3.0972367845   1.2383085120
H   -0.2449325970   0.2782106418   0.8974002852
H   -4.3040209153  -0.6530208593  -2.9892815104
H   -4.8391985186  -4.1393015957  -0.5739656864
H   -5.2264133653  -2.9080883710  -2.6866340728
H    1.7473897760  -2.5718366578   0.5804953406
H    4.3591478785   2.2832837399  -0.3771110129
H   -3.9911586170   3.5401311805  -2.2504917914
H   -2.4766686651   2.8736020188  -2.8962301071
H   -2.5706801300   3.4059211505  -1.1980786399
H   -0.0155069197   2.4539048729  -0.5695447345
H    7.0291379602  -1.1847215163  -0.7798282047
*