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	hartrees
Energy at 0K	-1195.290581
Energy at 298.15K	-1195.292927
HF Energy	-1195.163558
Nuclear repulsion energy	193.686661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2696	2568	15.52
2	A'	896	854	7.20
3	A'	483	460	0.50
4	A'	339	323	23.26
5	A'	205	195	0.16
6	A"	2698	2569	0.48
7	A"	888	845	10.43
8	A"	476	453	33.64
9	A"	317	302	11.70

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.837	0.000
S2	-0.053	-0.386	1.688
S3	-0.053	-0.386	-1.688
H4	1.277	-0.518	1.843
H5	1.277	-0.518	-1.843

	S1	S2	S3	H4	H5
S1		2.0849	2.0849	2.6458	2.6458
S2	2.0849		3.3767	1.3456	3.7757
S3	2.0849	3.3767		3.7757	1.3456
H4	2.6458	1.3456	3.7757		3.6856
H5	2.6458	3.7757	1.3456	3.6856

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.643		S1	S3	H5	98.643
S2	S1	S3	108.152

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP/6-31+G**

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	-0.033
2	S	-0.057
3	S	-0.057
4	H	0.073
5	H	0.073

	x	y	z	Total
	2.125	-0.563	0.000	2.198
CHELPG
AIM
ESP

	x	y	z
x	6.280	-0.283	0.000
y	-0.283	7.171	0.000
z	0.000	0.000	12.240

<r²>	143.103
(<r²>)^1/2	11.963