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	hartrees
Energy at 0K	-797.580027
Energy at 298.15K
HF Energy	-797.580027
Nuclear repulsion energy	83.114806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2515	2515	8.96
2	A	845	845	0.02
3	A	464	464	0.62
4	A	427	427	11.90
5	B	2518	2518	17.87
6	B	853	853	9.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.054	-0.056
S2	0.000	-1.054	-0.056
H3	0.962	1.259	0.899
H4	-0.962	-1.259	0.899

	S1	S2	H3	H4
S1		2.1073	1.3715	2.6810
S2	2.1073		2.6810	1.3715
H3	1.3715	2.6810		3.1693
H4	2.6810	1.3715	3.1693

Number	Element	Mulliken
1	S	-0.081
2	S	-0.081
3	H	0.081
4	H	0.081

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: BLYP/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	3.659	0.573	0.000
y	0.573	6.815	0.000
z	0.000	0.000	3.596

<r²>	58.729
(<r²>)^1/2	7.663

All results from a given calculation for H2S2 (Disulfane)

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

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)