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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2 trans	¹A
1	2	no	CS cis	¹A^'

	hartrees
Energy at 0K	-1193.748056
Energy at 298.15K	-1193.749995
HF Energy	-1193.566640
Nuclear repulsion energy	179.112752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2499	2374	0.37
2	A	800	760	0.00
3	A	394	375	1.40
4	A	261	248	42.35
5	A	161	153	0.02
6	B	2501	2376	56.44
7	B	795	755	5.45
8	B	403	383	13.32
9	B	281	267	27.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.949
S2	0.000	1.810	-0.434
S3	0.000	-1.810	-0.434
H4	-1.363	1.865	-0.649
H5	1.363	-1.865	-0.649

	S1	S2	S3	H4	H5
S1		2.2774	2.2774	2.8088	2.8088
S2	2.2774		3.6198	1.3810	3.9254
S3	2.2774	3.6198		3.9254	1.3810
H4	2.8088	1.3810	3.9254		4.6198
H5	2.8088	3.9254	1.3810	4.6198

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP2=FULL/6-31G

States and conformations

Conformer 1 (C2 trans)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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