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	hartrees
Energy at 0K	-797.592562
Energy at 298.15K
HF Energy	-797.592562
Nuclear repulsion energy	85.224806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2636	2636	0.00
2	A	877	877	0.14
3	A	534	534	0.00
4	A	301	301	13.71
5	B	2637	2637	1.06
6	B	867	867	5.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.027	-0.053
S2	0.000	-1.027	-0.053
H3	0.968	1.219	0.854
H4	-0.968	-1.219	0.854

	S1	S2	H3	H4
S1		2.0546	1.3410	2.6087
S2	2.0546		2.6087	1.3410
H3	1.3410	2.6087		3.1131
H4	2.6087	1.3410	3.1131

Number	Element	Mulliken
1	S	-0.233
2	S	-0.233
3	H	0.233
4	H	0.233

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: M06-2X/aug-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	5.720	0.349	0.000
y	0.349	8.427	0.000
z	0.000	0.000	5.668

<r²>	56.874
(<r²>)^1/2	7.541

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: M06-2X/aug-cc-pCVTZ

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)