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	hartrees
Energy at 0K	-1195.773369
Energy at 298.15K	-1195.775669
HF Energy	-1195.773369
Nuclear repulsion energy	193.309920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2648	2539	25.58
2	A'	872	836	6.85
3	A'	476	457	0.73
4	A'	337	323	22.62
5	A'	202	194	0.25
6	A"	2649	2540	1.79
7	A"	862	826	10.62
8	A"	456	437	41.78
9	A"	316	303	9.50

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.829	0.000
S2	-0.053	-0.383	1.698
S3	-0.053	-0.383	-1.698
H4	1.282	-0.510	1.857
H5	1.282	-0.510	-1.857

	S1	S2	S3	H4	H5
S1		2.0859	2.0859	2.6509	2.6509
S2	2.0859		3.3954	1.3509	3.7997
S3	2.0859	3.3954		3.7997	1.3509
H4	2.6509	1.3509	3.7997		3.7147
H5	2.6509	3.7997	1.3509	3.7147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.691		S1	S3	H5	98.691
S2	S1	S3	108.956

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: TPSSh/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	-0.058
2	S	-0.065
3	S	-0.065
4	H	0.094
5	H	0.094

	x	y	z	Total
	2.116	-0.588	0.000	2.196
CHELPG
AIM
ESP

	x	y	z
x	5.440	-0.329	0.000
y	-0.329	5.856	0.000
z	0.000	0.000	11.495

<r²>	143.508
(<r²>)^1/2	11.979