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	hartrees
Energy at 0K	-1195.454101
Energy at 298.15K	-1195.456427
HF Energy	-1195.223522
Nuclear repulsion energy	192.883990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2614	2614	20.90
2	A'	901	901	4.87
3	A'	467	467	0.72
4	A'	350	350	25.32
5	A'	201	201	0.20
6	A"	2616	2616	1.89
7	A"	891	891	7.68
8	A"	455	455	36.35
9	A"	317	317	11.14

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.841	0.000
S2	-0.053	-0.388	1.695
S3	-0.053	-0.388	-1.695
H4	1.282	-0.524	1.849
H5	1.282	-0.524	-1.849

	S1	S2	S3	H4	H5
S1		2.0937	2.0937	2.6580	2.6580
S2	2.0937		3.3903	1.3508	3.7896
S3	2.0937	3.3903		3.7896	1.3508
H4	2.6580	1.3508	3.7896		3.6976
H5	2.6580	3.7896	1.3508	3.6976

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.711		S1	S3	H5	98.711
S2	S1	S3	108.123

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP=FULL/6-311G*

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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