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	hartrees
Energy at 0K	-795.575659
Energy at 298.15K	-795.577772
HF Energy	-795.575659
Nuclear repulsion energy	85.547001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2557	2557	0.42
2	A	860	860	0.00
3	A	528	528	0.15
4	A	457	457	14.07
5	B	2561	2561	4.52
6	B	859	859	7.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.019	-0.055
S2	0.000	-1.019	-0.055
H3	0.958	1.227	0.887
H4	-0.958	-1.227	0.887

	S1	S2	H3	H4
S1		2.0385	1.3600	2.6175
S2	2.0385		2.6175	1.3600
H3	1.3600	2.6175		3.1132
H4	2.6175	1.3600	3.1132

Number	Element	Mulliken
1	S	-0.142
2	S	-0.142
3	H	0.142
4	H	0.142

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: SVWN/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	4.558	0.457	0.000
y	0.457	7.525	0.000
z	0.000	0.000	4.506

<r²>	56.338
(<r²>)^1/2	7.506

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: SVWN/cc-pCVTZ

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)