! 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   -1.3799305377  -2.5402238563   0.6354399734
F    3.2753491042   5.8679799770   2.4476646448
F    1.3179447989   5.4441920566   1.6360521079
F    3.3178443701  -1.5058828427  -2.5079753037
F    2.6936708303  -2.0892923723  -0.5241567351
O   -1.7314774545  -3.2987471528   1.8162905916
O   -0.6141938877  -3.1716087693  -0.4230935451
O   -1.7130078604  -1.6414750837  -3.3487017623
O   -0.7295750731  -0.4374337940  -1.7417824960
O   -1.9663451300  -0.3421162625   2.5142239779
O    3.0344873216   4.0700470499   1.2812456446
O    3.2850258858   0.0164819854  -0.9761494711
N   -0.4450584270  -1.2381183446   1.0906403035
N   -0.1483729960   0.8840257971   1.9974595162
N    1.4387930525   2.4670476677   1.6390918741
N    1.5698012880   0.4112067472   0.4965427551
C   -2.8667767748  -1.8643242131  -0.0569307317
C   -2.8857713241  -1.3509097045  -1.3564103003
C   -4.0320627895  -1.9782921995   0.6835761699
C   -4.1003778831  -0.9543944424  -1.8973568093
C   -5.2339887543  -1.5549680585   0.1353548828
C   -5.2674016447  -1.0466515048  -1.1512079262
C   -1.6475517388  -1.1049947238  -2.1502504867
C   -0.9236060110  -0.2492810179   1.9025641968
C    1.0000396380   1.2541061639   1.3427511389
C    2.5416492895   2.8485465604   1.0303516342
C    2.6705231388   0.8308901241  -0.1042090481
C    3.2371230585   2.0671453402   0.1222659423
C   -0.6158520971  -1.3984037412  -4.2382580783
C    2.4017602502   4.8853064818   2.2018853470
C    2.6235318697  -1.1052532358  -1.4388259654
H   -4.0184712966  -2.3996232022   1.6776451068
H    0.3898216408  -1.0388185933   0.5333290883
H   -4.1390126884  -0.5514214079  -2.9001029867
H   -6.1413948537  -1.6344736190   0.7169454633
H   -6.2032875171  -0.7218109575  -1.5839599474
H   -0.5228067014   1.5816473110   2.6277860633
H    4.1357862562   2.4011632530  -0.3738559643
H   -0.4644742013  -0.3323492959  -4.3997338997
H   -0.8851137824  -1.8733153520  -5.1760183351
H    0.3017728633  -1.8476827377  -3.8590968297
H    2.1244814186   4.3841449666   3.1269221195
H    1.5855180807  -0.9169488317  -1.7107638748
*