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	hartrees
Energy at 0K	-797.304109
Energy at 298.15K	-797.306221
HF Energy	-797.304109
Nuclear repulsion energy	84.285874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2623	2514	7.31
2	A	917	879	0.19
3	A	510	489	0.19
4	A	452	433	22.11
5	B	2624	2516	13.14
6	B	916	878	11.32

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.039	-0.055
S2	0.000	-1.039	-0.055
H3	0.950	1.248	0.886
H4	-0.950	-1.248	0.886

	S1	S2	H3	H4
S1		2.0773	1.3535	2.6490
S2	2.0773		2.6490	1.3535
H3	1.3535	2.6490		3.1371
H4	2.6490	1.3535	3.1371

Number	Element	Mulliken
1	S	-0.176
2	S	-0.176
3	H	0.176
4	H	0.176

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: PBE1PBE/6-311G*

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	3.676	0.340	0.000
y	0.340	6.731	0.000
z	0.000	0.000	3.649

<r²>	58.175
(<r²>)^1/2	7.627

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)