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	hartrees
Energy at 0K	-787.491040
Energy at 298.15K	-787.493130
HF Energy	-787.491040
Nuclear repulsion energy	85.002235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	2649	20.96
2	A	1131	924	17.48
3	A	702	573	0.02
4	A	343	280	11.61
5	B	3244	2648	22.30
6	B	1133	925	22.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.054	-0.053
S2	0.000	-1.054	-0.053
H3	0.973	1.167	0.854
H4	-0.973	-1.167	0.854

	S1	S2	H3	H4
S1		2.1087	1.3356	2.5893
S2	2.1087		2.5893	1.3356
H3	1.3356	2.5893		3.0388
H4	2.5893	1.3356	3.0388

Number	Element	Mulliken
1	S	0.035
2	S	0.035
3	H	-0.035
4	H	-0.035

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: HF/STO-3G

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	1.400	0.673	0.000
y	0.673	3.511	0.000
z	0.000	0.000	1.207

<r²>	55.088
(<r²>)^1/2	7.422

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)