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	hartrees
Energy at 0K	-1182.033265
Energy at 298.15K	-1182.035486
HF Energy	-1182.006498
Nuclear repulsion energy	193.293875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2967	2967	73.91
2	A'	1018	1018	21.22
3	A'	591	591	1.12
4	A'	276	276	11.79
5	A'	219	219	0.47
6	A"	2965	2965	1.55
7	A"	1008	1008	5.87
8	A"	600	600	8.14
9	A"	261	261	5.17

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.888	0.000
S2	-0.054	-0.411	1.656
S3	-0.054	-0.411	-1.656
H4	1.299	-0.523	1.750
H5	1.299	-0.523	-1.750

	S1	S2	S3	H4	H5
S1		2.1049	2.1049	2.6237	2.6237
S2	2.1049		3.3113	1.3609	3.6661
S3	2.1049	3.3113		3.6661	1.3609
H4	2.6237	1.3609	3.6661		3.4996
H5	2.6237	3.6661	1.3609	3.4996

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	96.021		S1	S3	H5	96.021
S2	S1	S3	103.731

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP/STO-3G

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	0.001
2	S	0.029
3	S	0.029
4	H	-0.029
5	H	-0.029

	x	y	z	Total
	1.465	-0.229	0.000	1.483
CHELPG
AIM
ESP

	x	y	z
x	2.518	-0.425	0.000
y	-0.425	2.273	0.000
z	0.000	0.000	5.864

<r²>	137.669
(<r²>)^1/2	11.733