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	hartrees
Energy at 0K	-797.631558
Energy at 298.15K	-797.633662
HF Energy	-797.631558
Nuclear repulsion energy	84.235478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2663	2541	3.40
2	A	898	857	0.27
3	A	518	495	0.12
4	A	438	418	19.94
5	B	2665	2542	6.69
6	B	896	855	7.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.040	-0.055
S2	0.000	-1.040	-0.055
H3	0.952	1.234	0.885
H4	-0.952	-1.234	0.885

	S1	S2	H3	H4
S1		2.0803	1.3516	2.6385
S2	2.0803		2.6385	1.3516
H3	1.3516	2.6385		3.1169
H4	2.6385	1.3516	3.1169

Number	Element	Mulliken
1	S	-0.120
2	S	-0.120
3	H	0.120
4	H	0.120

All results from a given calculation for H₂S₂ (Disulfane)

using model chemistry: mPW1PW91/TZVP

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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	x	y	z
x	3.688	0.426	0.000
y	0.426	6.712	0.000
z	0.000	0.000	3.646

<r²>	57.798
(<r²>)^1/2	7.603

All results from a given calculation for H2S2 (Disulfane)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for H₂S₂ (Disulfane)