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	hartrees
Energy at 0K	-797.668774
Energy at 298.15K
HF Energy	-797.668774
Nuclear repulsion energy	84.497068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2623	2623	0.62
2	A	892	892	0.06
3	A	503	503	0.01
4	A	437	437	11.83
5	B	2625	2625	3.41
6	B	893	893	7.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.037	-0.055
S2	0.000	-1.037	-0.055
H3	0.949	1.241	0.880
H4	-0.949	-1.241	0.880

	S1	S2	H3	H4
S1		2.0732	1.3476	2.6381
S2	2.0732		2.6381	1.3476
H3	1.3476	2.6381		3.1232
H4	2.6381	1.3476	3.1232

Number	Element	Mulliken
1	S	-0.147
2	S	-0.147
3	H	0.147
4	H	0.147

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: B3LYP/aug-cc-pCVTZ

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	5.808	0.363	0.000
y	0.363	8.586	0.000
z	0.000	0.000	5.776

<r²>	57.690
(<r²>)^1/2	7.595

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: B3LYP/aug-cc-pCVTZ

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)