! 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   -1.4185724378  -1.7890680340  -1.4698292833
F    2.0160303969   5.7350502837   1.0993341834
F    3.8751707155   6.2202033824   0.1116503313
F    3.9271747988  -2.5709272953   0.3529918919
F    1.9490534185  -2.0845180151   1.0677831120
O   -0.7146785481  -2.8975544795  -0.8525439381
O   -1.4101552798  -1.6537005319  -2.9116466571
O   -1.6859635083  -1.8808174084   1.7031141164
O   -2.5760240886  -3.9271960642   1.8475723793
O   -2.0791578603   1.0733914813  -1.7873453398
O    3.4821223386   4.1475308461   0.5648609094
O    3.4757784360  -0.4943456827   0.7249487830
N   -0.7101818079  -0.4361947381  -0.7973394165
N   -0.2163878499   1.8420144911  -0.7781801980
N    1.6174360512   2.9881391444  -0.0867481017
N    1.6106752113   0.6333737558   0.0098872438
C   -3.1074782766  -1.8047529314  -0.9318428467
C   -3.4700372688  -2.3775347292   0.2886521556
C   -4.0697195731  -1.3886828680  -1.8398909924
C   -4.8200553428  -2.5341335625   0.5729262342
C   -5.4124476311  -1.5221820704  -1.5232820674
C   -5.7863828966  -2.1001948673  -0.3221513552
C   -2.5161505021  -2.8348503986   1.3411442396
C   -1.0635081729   0.8304862189  -1.1721623267
C    1.0547636048   1.8032959262  -0.2634701849
C    2.8487368919   2.9805026894   0.3779101340
C    2.8526517380   0.6643771826   0.4622590250
C    3.5562121819   1.8292751222   0.6813155036
C   -0.7589127521  -2.1842837854   2.7510280481
C    2.8826021612   5.3245341289   0.1573361387
C    2.9410418665  -1.6770681786   0.2539730829
H   -3.7888432758  -0.9724499561  -2.7954404489
H    0.1620181015  -0.5747215350  -0.2822264135
H   -5.1210956542  -2.9874869359   1.5074142816
H   -6.1608439353  -1.1896308593  -2.2284785974
H   -6.8326691573  -2.2220902618  -0.0790645313
H   -0.5591937741   2.7688654340  -0.9970136864
H    4.5732399955   1.8415122631   1.0424703782
H   -1.2841822720  -2.3776858805   3.6851105286
H   -0.1400157003  -1.3007249327   2.8661448329
H   -0.1394799558  -3.0430232342   2.5007937330
H    2.3839315911   5.2616501892  -0.8075528715
H    2.5794673276  -1.6224833231  -0.7721364605
*