Sulfur Dimer Molecule
MOLECULE
1
2
16 0 0 0
16 1.89 0 0 
OPTGEOM
PRINTOPT
MAXCYCLE 
100
FINALRUN
4
END
ENDG
16 10
0 0 7 2.0 1.0
 60700.928104 0.00054695944225
 9102.6106854 0.00422972245570
 2071.4166009 0.02174782415900
 586.02476821 0.08510005358900
 190.55395021 0.24799128459000
 67.630384260 0.46703640406000
 25.127306905 0.36434587550000
0 0 3 2.0 1.0
 112.57463010 0.02167004024000
 34.795554217 0.09360230176000
 6.5115556215 -0.26068001422000
0 0 2 2.0 1.0
 3.2399032261 1.28420894350000
 1.5477160881 0.66036416584000
0 0 1 0.0 1.0
 0.2887335200 1.00000000000000
0 0 1 0.0 1.0
 0.1153457200 1.00000000000000
0 2 5 6.0 1.0
 564.36716027 0.00247967963170
 133.42624379 0.01967793025000
 42.468271189 0.08998000825800
 15.616527580 0.25705880575000
 6.1093988469 0.43515167292000
0 2 1 4.0 1.0
 2.0359436000 1.00000000000000
0 2 1 0.0 1.0
 0.3337928300 1.00000000000000
0 2 1 0.0 1.0
 0.1155009100 1.00000000000000
0 3 1 0.0 1 0
 0.5207010100 1.00000000000000
99 0
END
DFT
HSE06
XXLGRID
SPIN
END
SHRINK
8 16
MAXCYCLE 
250
TOLINTEG
7 7 7 7 14
TOLDEE 
7
PPAN
END
