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	hartrees
Energy at 0K	-786.587118
Energy at 298.15K	-786.589108
HF Energy	-786.587118
Nuclear repulsion energy	83.811929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2858	2560	35.13
2	A	973	872	6.29
3	A	613	549	0.00
4	A	351	314	12.18
5	B	2862	2563	36.26
6	B	981	878	9.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.044	-0.055
S2	0.000	-1.044	-0.055
H3	0.990	1.197	0.885
H4	-0.990	-1.197	0.885

	S1	S2	H3	H4
S1		2.0886	1.3737	2.6241
S2	2.0886		2.6241	1.3737
H3	1.3737	2.6241		3.1063
H4	2.6241	1.3737	3.1063

Number	Element	Mulliken
1	S	-0.008
2	S	-0.008
3	H	0.008
4	H	0.008

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: LSDA/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	1.451	0.613	0.000
y	0.613	3.442	0.000
z	0.000	0.000	1.246

<r²>	55.863
(<r²>)^1/2	7.474

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)