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	hartrees
Energy at 0K	-797.244770
Energy at 298.15K
HF Energy	-797.244770
Nuclear repulsion energy	84.244935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2552	2552	5.29
2	A	860	860	0.01
3	A	498	498	0.53
4	A	449	449	14.17
5	B	2556	2556	14.62
6	B	866	866	9.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.037	-0.056
S2	0.000	-1.037	-0.056
H3	0.961	1.246	0.897
H4	-0.961	-1.246	0.897

	S1	S2	H3	H4
S1		2.0735	1.3696	2.6539
S2	2.0735		2.6539	1.3696
H3	1.3696	2.6539		3.1477
H4	2.6539	1.3696	3.1477

Number	Element	Mulliken
1	S	-0.106
2	S	-0.106
3	H	0.106
4	H	0.106

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: PBEPBE/cc-pV(D+d)Z

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	3.643	0.565	0.000
y	0.565	6.674	0.000
z	0.000	0.000	3.578

<r²>	57.500
(<r²>)^1/2	7.583

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: PBEPBE/cc-pV(D+d)Z

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)