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	hartrees
Energy at 0K	-1195.834780
Energy at 298.15K	-1195.837075
HF Energy	-1195.834780
Nuclear repulsion energy	191.772911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2603	2525	12.56
2	A'	861	835	1.50
3	A'	472	458	0.35
4	A'	339	329	17.68
5	A'	197	191	0.07
6	A"	2604	2526	1.04
7	A"	848	822	5.25
8	A"	448	435	36.33
9	A"	319	310	8.10

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.849	0.000
S2	-0.054	-0.392	1.702
S3	-0.054	-0.392	-1.702
H4	1.297	-0.514	1.846
H5	1.297	-0.514	-1.846

	S1	S2	S3	H4	H5
S1		2.1067	2.1067	2.6626	2.6626
S2	2.1067		3.4046	1.3642	3.7988
S3	2.1067	3.4046		3.7988	1.3642
H4	2.6626	1.3642	3.7988		3.6921
H5	2.6626	3.7988	1.3642	3.6921

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.904		S1	S3	H5	97.904
S2	S1	S3	107.812

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

Conformer 1 (C2 trans)

Conformer 2 (CS cis)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	-0.056
2	S	-0.065
3	S	-0.065
4	H	0.093
5	H	0.093

	x	y	z	Total
	1.844	-0.481	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	5.596	-0.370	0.000
y	-0.370	5.714	0.000
z	0.000	0.000	11.288

<r²>	144.410
(<r²>)^1/2	12.017