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	hartrees
Energy at 0K	-797.629390
Energy at 298.15K	-797.631444
HF Energy	-797.629390
Nuclear repulsion energy	83.257548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2617	2527	5.92
2	A	880	850	0.12
3	A	487	470	0.14
4	A	421	406	18.25
5	B	2619	2528	9.30
6	B	879	848	6.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.055	-0.055
S2	0.000	-1.055	-0.055
H3	0.954	1.246	0.887
H4	-0.954	-1.246	0.887

	S1	S2	H3	H4
S1		2.1091	1.3548	2.6629
S2	2.1091		2.6629	1.3548
H3	1.3548	2.6629		3.1383
H4	2.6629	1.3548	3.1383

Number	Element	Mulliken
1	S	-0.104
2	S	-0.104
3	H	0.104
4	H	0.104

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: B3LYP/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	3.750	0.429	0.000
y	0.429	6.960	0.000
z	0.000	0.000	3.708

<r²>	58.975
(<r²>)^1/2	7.679

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)