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	hartrees
Energy at 0K	-797.466130
Energy at 298.15K	-797.468059
HF Energy	-797.466130
Nuclear repulsion energy	79.619029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2540	2540	28.17
2	A	855	855	1.61
3	A	470	470	0.00
4	A	338	338	36.72
5	B	2541	2541	35.31
6	B	835	835	3.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.110	-0.055
S2	0.000	-1.110	-0.055
H3	0.995	1.291	0.877
H4	-0.995	-1.291	0.877

	S1	S2	H3	H4
S1		2.2205	1.3750	2.7613
S2	2.2205		2.7613	1.3750
H3	1.3750	2.7613		3.2606
H4	2.7613	1.3750	3.2606

Number	Element	Mulliken
1	S	-0.089
2	S	-0.089
3	H	0.089
4	H	0.089

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: wB97X-D/6-31G

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	3.408	0.588	0.000
y	0.588	7.649	0.000
z	0.000	0.000	3.178

<r²>	63.540
(<r²>)^1/2	7.971

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)