! 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    0.5983564784  -0.2158500842   1.0236303147
F    2.9852475573  -3.8072788661  -1.2200926891
F    4.8345175145  -3.9293785301  -0.1259660333
F    4.7980193321  -3.0440759250  -2.0880147696
O    0.8012394551  -1.5892689411   0.6150456482
O    0.4110311281   0.0686743215   2.4353791467
O   -0.1972940972   0.0517060476  -1.8180916153
O   -4.5628921877   1.0850515594   2.5821498837
N   -0.8091934007   0.3775178930   0.3399585617
N   -2.3113553989   0.7227567832  -1.4048034466
N   -4.5400191251   1.1922490094  -1.3717595326
N   -3.3723856747   0.9224642410   0.6508171476
N   -5.6804743771   1.3649448645   0.6794890885
C    2.8222963393   0.4616916552  -0.5619383525
C    2.9722804501  -0.8988135917  -1.1887448336
C    1.8659633631   0.8495514926   0.3832288358
C    3.8511050625  -1.7960744027  -0.3146791448
C    3.7623333193   1.4273501906  -0.9253438805
C    1.8464490723   2.1361525093   0.9227088284
C    4.1137296441  -3.1380739125  -0.9352288417
C    3.7540206325   2.7056121270  -0.3976031613
C    2.7878327203   3.0668732456   0.5301752443
C   -1.0436579027   0.3518426680  -1.0031862806
C   -3.4436820068   0.9534887936  -0.6725407784
C   -5.6364690284   1.3957474333  -0.6454958019
C   -4.5220677074   1.1217165232   1.2720932178
C   -6.9045825077   1.6362165821  -1.3791411094
C   -3.3647732876   0.7973907452   3.3059063143
H    2.0098889988  -1.3614801965  -1.3791993554
H    3.4489790248  -0.7558061734  -2.1593936597
H    4.8159818399  -1.3177946907  -0.1344515577
H    3.3890757424  -1.9572969202   0.6594991592
H    4.5193904948   1.1592592629  -1.6516966702
H    1.0953460996   2.4220925729   1.6465015253
H    4.5019567549   3.4204928266  -0.7130496281
H    2.7674324479   4.0630865279   0.9489117258
H   -1.5868191910   0.6099346603   0.9692854002
H   -2.4380765259   0.7407192786  -2.4089213566
H   -7.6454908321   2.1180110610  -0.7470623423
H   -6.7354572852   2.2373895862  -2.2699284336
H   -7.3140275545   0.6781826300  -1.7077576631
H   -2.6013513378   1.5549130509   3.1315030987
H   -2.9771133081  -0.1896862117   3.0553919850
H   -3.6462507909   0.8121287722   4.3544479695
*