! 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   -1.1424453068  -0.0272513025   1.3620861239
F   -5.5374828787   0.8911231861   0.9526785686
F   -3.8382496214   0.6235562094   2.2299612433
F   -3.8902592888   2.2620878768   0.8348837180
O   -1.5003013813  -0.9306103291   2.4318937574
O   -1.0826263210   1.4032076222   1.5908725280
O    0.1451045251  -2.6978475648   0.8300504128
O    6.0241230003  -0.7677704833  -1.9499192713
O    3.2676699003   2.6222260884  -0.3854381738
N    0.3452346743  -0.4207452889   0.7777649061
N   -1.6917413630  -1.0112440987  -1.0059277382
N    2.0013208201  -1.8003445986  -0.0737933644
N    4.0031223460  -1.2899618638  -1.0195283549
N    2.5990488630   0.4400438996  -0.2422755204
C   -2.2504506073  -0.3256264624  -0.0380382361
C   -3.5718424498   0.1199068067  -0.0620828488
C   -4.3192578902  -0.2130639130  -1.1847384379
C   -4.2075093827   0.9751981547   0.9980142514
C   -3.7398225547  -0.9492775360  -2.2019437493
C    0.7729707498  -1.7063576210   0.5359811195
C   -2.4160518101  -1.3232608958  -2.0729782988
C    2.9001173640  -0.8287723751  -0.4610663312
C    4.8951671795  -0.3790446883  -1.3825732486
C    3.5094419989   1.3410166141  -0.6010039454
C    4.7091395660   0.9847718269  -1.1906778661
C    6.2420254464  -2.1585124133  -2.1784021960
C    2.0501485586   2.9989467229   0.2549184340
H    0.9609828131   0.3426216416   0.4550448115
H   -5.3499305032   0.0990633933  -1.2775979779
H   -4.3061034311  -1.2212869908  -3.0803862526
H   -1.9160994996  -1.8899193791  -2.8470576842
H    2.3012217757  -2.7504124583  -0.2479900099
H    5.4488612301   1.7159788788  -1.4816091210
H    7.2207089817  -2.2283243410  -2.6444279626
H    6.2479441270  -2.7244708864  -1.2478880121
H    5.4951166420  -2.5774032313  -2.8517577837
H    2.0993269340   4.0781518263   0.3668753398
H    1.9573913286   2.5467845382   1.2423141854
H    1.1816189072   2.7485194882  -0.3545077461
*