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	hartrees
Energy at 0K	-1194.265156
Energy at 298.15K	-1194.267575
HF Energy	-1193.722237
Nuclear repulsion energy	195.565341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2709	2562	1.85
2	A'	913	863	4.03
3	A'	510	482	0.33
4	A'	336	317	17.37
5	A'	211	200	0.05
6	A"	2711	2563	0.14
7	A"	900	851	6.51
8	A"	518	490	18.51
9	A"	320	302	9.76

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.845	0.000
S2	-0.053	-0.390	1.659
S3	-0.053	-0.390	-1.659
H4	1.277	-0.515	1.801
H5	1.277	-0.515	-1.801

	S1	S2	S3	H4	H5
S1		2.0688	2.0688	2.6197	2.6197
S2	2.0688		3.3190	1.3433	3.7096
S3	2.0688	3.3190		3.7096	1.3433
H4	2.6197	1.3433	3.7096		3.6025
H5	2.6197	3.7096	1.3433	3.6025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.053		S1	S3	H5	98.053
S2	S1	S3	106.674

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: CCSD/6-31G(2df,p)

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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