! 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   -2.4512976830  -1.6745716902   0.7710257940
F   -0.7727610139   2.1683401800   1.2460868636
F   -0.5434055903   3.7810420120  -0.1709253749
F    5.9292744935  -1.4402277501  -1.0710551983
F    7.2538385419  -0.4536110032   0.3226794021
O   -2.8142550152  -2.2666466386   2.0427872347
O   -2.8137631096  -2.3736152832  -0.4485936695
O   -3.6157072889  -0.1559419566  -2.7019633097
O   -1.4898808480  -0.1440248206  -2.0011711661
O   -0.2505732376  -3.5474537974   0.7288597199
O    1.1963775262   2.5801308162   0.2768276938
O    5.2684905566   0.3523375765   0.0725809858
N   -0.8060024883  -1.3543388591   0.7810545192
N    1.4052230602  -2.0333608327   0.5007227891
N    1.2618518018   0.2878747504   0.3813917381
N    3.3263041491  -0.8432044441   0.2791885349
C   -3.0647722847  -0.0192702623   0.6874363471
C   -3.2001706965   0.6212974378  -0.5454553678
C   -3.4871415622   0.5790248588   1.8631866416
C   -3.7578248850   1.8905414376  -0.5757461366
C   -4.0279331227   1.8549992631   1.8161549036
C   -4.1598945256   2.5068949168   0.6020671819
C   -2.6668154647   0.0462222164  -1.8175116050
C    0.0848692289  -2.3829246520   0.6705845702
C    2.0076048382  -0.8058902221   0.3833037087
C    1.9041751459   1.4395109259   0.2764891382
C    3.9326344915   0.3210129207   0.1811085909
C    3.2751674993   1.5403774671   0.1760367833
C   -3.2211324132  -0.6603785183  -3.9854471147
C   -0.1724107428   2.5268096913   0.0957956881
C    5.9855734332  -0.8295651527   0.1246917191
H   -3.4020286790   0.0658241230   2.8104775377
H   -0.4684588860  -0.3980166755   0.6464467946
H   -3.8711948998   2.4089424125  -1.5183121630
H   -4.3516171618   2.3312531638   2.7306174693
H   -4.5852155739   3.5000449656   0.5631560881
H    2.0364780971  -2.8238264970   0.4718600032
H    3.7890735207   2.4857582475   0.0904005084
H   -4.1375960484  -0.7583661852  -4.5580498848
H   -2.7451074029  -1.6354116886  -3.8921728150
H   -2.5482275153   0.0312027886  -4.4899359567
H   -0.4769616888   1.8608345854  -0.7113414665
H    5.6661875603  -1.5120648024   0.9096567421
*