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	hartrees
Energy at 0K	-797.622254
Energy at 298.15K	-797.624350
HF Energy	-797.622254
Nuclear repulsion energy	83.734665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2597	2501	10.80
2	A	913	880	0.15
3	A	486	468	0.81
4	A	455	439	19.63
5	B	2598	2502	18.15
6	B	914	880	12.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.047	-0.055
S2	0.000	-1.047	-0.055
H3	0.952	1.251	0.887
H4	-0.952	-1.251	0.887

	S1	S2	H3	H4
S1		2.0938	1.3546	2.6599
S2	2.0938		2.6599	1.3546
H3	1.3546	2.6599		3.1441
H4	2.6599	1.3546	3.1441

Number	Element	Mulliken
1	S	-0.169
2	S	-0.169
3	H	0.169
4	H	0.169

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: TPSSh/6-311G*

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	3.668	0.346	0.000
y	0.346	6.852	0.000
z	0.000	0.000	3.638

<r²>	58.721
(<r²>)^1/2	7.663

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)