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	hartrees
Energy at 0K	-1195.845995
Energy at 298.15K	-1195.848281
HF Energy	-1195.845995
Nuclear repulsion energy	192.942164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2619	2533	4.76
2	A'	848	820	2.10
3	A'	481	465	0.12
4	A'	327	316	14.29
5	A'	198	191	0.03
6	A"	2620	2534	0.50
7	A"	834	807	5.28
8	A"	457	442	36.30
9	A"	310	300	6.61

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.845	0.000
S2	-0.054	-0.391	1.690
S3	-0.054	-0.391	-1.690
H4	1.296	-0.499	1.837
H5	1.296	-0.499	-1.837

	S1	S2	S3	H4	H5
S1		2.0938	2.0938	2.6460	2.6460
S2	2.0938		3.3798	1.3621	3.7775
S3	2.0938	3.3798		3.7775	1.3621
H4	2.6460	1.3621	3.7775		3.6732
H5	2.6460	3.7775	1.3621	3.6732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.680		S1	S3	H5	97.680
S2	S1	S3	107.625

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: TPSSh/aug-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	-0.126
2	S	-0.151
3	S	-0.151
4	H	0.214
5	H	0.214

	x	y	z	Total
	1.633	-0.473	0.000	1.700
CHELPG
AIM
ESP

	x	y	z
x	7.678	-0.248	0.000
y	-0.248	8.630	0.000
z	0.000	0.000	14.071

<r²>	143.034
(<r²>)^1/2	11.960