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	hartrees
Energy at 0K	-797.344993
Energy at 298.15K
HF Energy	-797.344993
Nuclear repulsion energy	84.949015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2654	2654	2.38
2	A	895	895	0.08
3	A	526	526	0.21
4	A	448	448	16.58
5	B	2657	2657	8.14
6	B	899	899	6.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.029	-0.056
S2	0.000	-1.029	-0.056
H3	0.952	1.232	0.888
H4	-0.952	-1.232	0.888

	S1	S2	H3	H4
S1		2.0575	1.3555	2.6278
S2	2.0575		2.6278	1.3555
H3	1.3555	2.6278		3.1128
H4	2.6278	1.3555	3.1128

Number	Element	Mulliken
1	S	-0.112
2	S	-0.112
3	H	0.112
4	H	0.112

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: HSEh1PBE/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	3.567	0.532	0.000
y	0.532	6.498	0.000
z	0.000	0.000	3.509

<r²>	56.844
(<r²>)^1/2	7.539

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: HSEh1PBE/cc-pV(D+d)Z

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)