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	hartrees
Energy at 0K	-1195.288171
Energy at 298.15K	-1195.290443
HF Energy	-1195.288171
Nuclear repulsion energy	191.617520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2540	2511	14.72
2	A'	831	821	2.21
3	A'	462	456	0.37
4	A'	350	346	20.92
5	A'	193	190	0.10
6	A"	2542	2513	0.61
7	A"	817	807	6.83
8	A"	430	425	54.32
9	A"	331	327	7.64

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.835	0.000
S2	-0.054	-0.386	1.713
S3	-0.054	-0.386	-1.713
H4	1.299	-0.508	1.865
H5	1.299	-0.508	-1.865

	S1	S2	S3	H4	H5
S1		2.1040	2.1040	2.6670	2.6670
S2	2.1040		3.4263	1.3669	3.8272
S3	2.1040	3.4263		3.8272	1.3669
H4	2.6670	1.3669	3.8272		3.7298
H5	2.6670	3.8272	1.3669	3.7298

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.177		S1	S3	H5	98.177
S2	S1	S3	109.026

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.064
2	S	-0.085
3	S	-0.085
4	H	0.116
5	H	0.116

	x	y	z	Total
	2.024	-0.561	0.000	2.100
CHELPG
AIM
ESP

	x	y	z
x	5.828	-0.327	0.000
y	-0.327	6.207	0.000
z	0.000	0.000	12.301

<r²>	145.541
(<r²>)^1/2	12.064