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	hartrees
Energy at 0K	-1195.372232
Energy at 298.15K	-1195.374573
HF Energy	-1195.235280
Nuclear repulsion energy	192.983173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2669	2547	12.06
2	A'	883	843	4.09
3	A'	481	459	0.53
4	A'	342	326	21.11
5	A'	202	193	0.11
6	A"	2671	2549	0.27
7	A"	872	832	5.58
8	A"	469	448	33.66
9	A"	316	302	10.74

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.847	0.000
S2	-0.053	-0.391	1.690
S3	-0.053	-0.391	-1.690
H4	1.282	-0.519	1.829
H5	1.282	-0.519	-1.829

	S1	S2	S3	H4	H5
S1		2.0951	2.0951	2.6450	2.6450
S2	2.0951		3.3809	1.3492	3.7670
S3	2.0951	3.3809		3.7670	1.3492
H4	2.6450	1.3492	3.7670		3.6587
H5	2.6450	3.7670	1.3492	3.6587

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.996		S1	S3	H5	97.996
S2	S1	S3	107.580

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP/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	-0.047
2	S	-0.072
3	S	-0.072
4	H	0.096
5	H	0.096

	x	y	z	Total
	2.045	-0.546	0.000	2.116
CHELPG
AIM
ESP

	x	y	z
x	5.628	-0.325	0.000
y	-0.325	6.104	0.000
z	0.000	0.000	11.291

<r²>	143.348
(<r²>)^1/2	11.973