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	hartrees
Energy at 0K	-1194.490682
Energy at 298.15K	-1194.493103
HF Energy	-1193.812141
Nuclear repulsion energy	195.967937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2718	2535	2.48
2	A'	907	846	3.83
3	A'	510	475	0.39
4	A'	335	312	15.21
5	A'	211	197	0.05
6	A"	2721	2538	0.13
7	A"	895	835	5.54
8	A"	514	479	19.28
9	A"	317	296	9.06

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.846	0.000
S2	-0.053	-0.391	1.655
S3	-0.053	-0.391	-1.655
H4	1.273	-0.514	1.783
H5	1.273	-0.514	-1.783

	S1	S2	S3	H4	H5
S1		2.0661	2.0661	2.6051	2.6051
S2	2.0661		3.3096	1.3377	3.6869
S3	2.0661	3.3096		3.6869	1.3377
H4	2.6051	1.3377	3.6869		3.5664
H5	2.6051	3.6869	1.3377	3.5664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.573		S1	S3	H5	97.573
S2	S1	S3	106.438

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP3=FULL/cc-pVTZ

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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