! 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   -1.6292004060  -2.2649009186   0.8907546221
F    2.7121545658   4.8429826815   3.0505143703
F    3.2410575527   6.2096906094   1.4626197759
F    3.2710351570  -1.7583243383  -2.3216623514
F    2.3609961895  -2.1207837916  -0.3973517797
O   -2.0792916991  -2.6995433885   2.1947119481
O   -0.8218118336  -3.1527830200   0.0754857883
O   -1.6282389188  -2.7226384756  -3.0284719964
O   -0.7487069617  -0.9325507207  -2.0138300458
O   -2.2238441246   0.2792051277   2.2302588483
O    3.2458308219   4.0967513566   1.0221379365
O    3.2559450685  -0.1343838248  -0.8983216518
N   -0.6808882284  -0.9037653130   1.0652638002
N   -0.2929737604   1.3059471740   1.6953046505
N    1.4772140801   2.6848391418   1.3674202169
N    1.4742416557   0.5435819379   0.3819683798
C   -3.0348838956  -1.7496311043  -0.0541318283
C   -2.9409257033  -1.6315143562  -1.4413515682
C   -4.2424014384  -1.5717458515   0.6018698855
C   -4.0848235400  -1.3268051253  -2.1636500476
C   -5.3720867039  -1.2454016162  -0.1331305030
C   -5.2926985857  -1.1241417758  -1.5101603726
C   -1.6426764911  -1.7259042046  -2.1726398881
C   -1.1374902588   0.2201898755   1.6947005166
C    0.9352387517   1.5036185199   1.1164556980
C    2.6502748695   2.9126682692   0.8169067090
C    2.6565879709   0.8055751700  -0.1509000949
C    3.3241561778   1.9994383394   0.0231365395
C   -0.4381819875  -2.9033858970  -3.8065438215
C    2.5807611686   5.0783555297   1.7334819562
C    2.5160945478  -1.2016773001  -1.3696006743
H   -4.3157182541  -1.6901596638   1.6726393441
H    0.2011149424  -0.8607846253   0.5489863588
H   -4.0344817025  -1.2312268363  -3.2397644485
H   -6.3137210090  -1.0960225715   0.3757521906
H   -6.1741057103  -0.8764892972  -2.0849935922
H   -0.6539975021   2.1000950580   2.2081164732
H    4.2829862545   2.2067674665  -0.4272220443
H   -0.6254863652  -3.7671367869  -4.4361256796
H    0.4198035352  -3.1060672495  -3.1658120938
H   -0.2359539188  -2.0342811435  -4.4303632955
H    1.5288874207   5.1824664191   1.4754189220
H    1.5457846362  -0.9165641853  -1.7728526014
*