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	hartrees
Energy at 0K	-1195.275661
Energy at 298.15K	-1195.278026
HF Energy	-1195.154277
Nuclear repulsion energy	193.724502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2687	2550	31.59
2	A'	911	865	7.08
3	A'	487	462	0.86
4	A'	347	330	23.10
5	A'	207	196	0.22
6	A"	2689	2552	2.29
7	A"	901	855	10.50
8	A"	479	455	31.41
9	A"	325	308	11.29

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.836	0.000
S2	-0.053	-0.385	1.688
S3	-0.053	-0.385	-1.688
H4	1.280	-0.522	1.849
H5	1.280	-0.522	-1.849

	S1	S2	S3	H4	H5
S1		2.0834	2.0834	2.6528	2.6528
S2	2.0834		3.3763	1.3494	3.7821
S3	2.0834	3.3763		3.7821	1.3494
H4	2.6528	1.3494	3.7821		3.6973
H5	2.6528	3.7821	1.3494	3.6973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.961		S1	S3	H5	98.961
S2	S1	S3	108.248

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP/6-31G*

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	-0.039
2	S	-0.096
3	S	-0.096
4	H	0.116
5	H	0.116

	x	y	z	Total
	2.128	-0.568	0.000	2.202
CHELPG
AIM
ESP

	x	y	z
x	5.356	-0.334	0.000
y	-0.334	5.798	0.000
z	0.000	0.000	11.050

<r²>	142.920
(<r²>)^1/2	11.955