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	hartrees
Energy at 0K	-21.032107
Energy at 298.15K	-21.034286
HF Energy	-21.032107
Nuclear repulsion energy	16.495908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2888	2594	12.89
2	A	994	893	3.58
3	A	574	515	0.05
4	A	449	403	23.35
5	B	2889	2594	17.83
6	B	998	896	14.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.039	-0.055
S2	0.000	-1.039	-0.055
H3	0.937	1.239	0.880
H4	-0.937	-1.239	0.880

	S1	S2	H3	H4
S1		2.0776	1.3383	2.6339
S2	2.0776		2.6339	1.3383
H3	1.3383	2.6339		3.1058
H4	2.6339	1.3383	3.1058

Number	Element	Mulliken
1	S	-0.120
2	S	-0.120
3	H	0.120
4	H	0.120

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: HF/CEP-31G*

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	2.982	0.484	0.000
y	0.484	6.644	0.000
z	0.000	0.000	2.937

<r²>	35.262
(<r²>)^1/2	5.938

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)