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	hartrees
Energy at 0K	-1194.521127
Energy at 298.15K	-1194.523519
HF Energy	-1193.812014
Nuclear repulsion energy	195.521879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2676	2577
2	A'	885	852
3	A'	501	483
4	A'	336	324
5	A'	206	198
6	A"	2679	2579
7	A"	873	840
8	A"	501	482
9	A"	321	309

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.846	0.000
S2	-0.053	-0.391	1.660
S3	-0.053	-0.391	-1.660
H4	1.277	-0.514	1.788
H5	1.277	-0.514	-1.788

	S1	S2	S3	H4	H5
S1		2.0701	2.0701	2.6103	2.6103
S2	2.0701		3.3197	1.3420	3.6972
S3	2.0701	3.3197		3.6972	1.3420
H4	2.6103	1.3420	3.6972		3.5750
H5	2.6103	3.6972	1.3420	3.5750

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.521		S1	S3	H5	97.521
S2	S1	S3	106.608

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP4=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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