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	hartrees
Energy at 0K	-21.435150
Energy at 298.15K	-21.437088
HF Energy	-21.435150
Nuclear repulsion energy	15.551467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2555	2555	24.34
2	A	805	805	0.83
3	A	472	472	0.01
4	A	360	360	33.65
5	B	2555	2555	29.43
6	B	790	790	2.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.115	-0.056
S2	0.000	-1.115	-0.056
H3	0.993	1.300	0.900
H4	-0.993	-1.300	0.900

	S1	S2	H3	H4
S1		2.2306	1.3907	2.7810
S2	2.2306		2.7810	1.3907
H3	1.3907	2.7810		3.2716
H4	2.7810	1.3907	3.2716

Number	Element	Mulliken
1	S	-0.085
2	S	-0.085
3	H	0.085
4	H	0.085

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: wB97X-D/CEP-121G

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	3.697	0.561	0.000
y	0.561	7.940	0.000
z	0.000	0.000	3.561

<r²>	38.117
(<r²>)^1/2	6.174

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)