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	hartrees
Energy at 0K	-1194.215451
Energy at 298.15K	-1194.217787
HF Energy	-1193.755490
Nuclear repulsion energy	192.993931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2704	2704	15.35
2	A'	895	895	3.04
3	A'	487	487	0.37
4	A'	327	327	17.82
5	A'	206	206	0.07
6	A"	2706	2706	0.86
7	A"	883	883	4.16
8	A"	488	488	19.26
9	A"	301	301	10.33

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.866	0.000
S2	-0.054	-0.400	1.676
S3	-0.054	-0.400	-1.676
H4	1.290	-0.524	1.799
H5	1.290	-0.524	-1.799

	S1	S2	S3	H4	H5
S1		2.1005	2.1005	2.6405	2.6405
S2	2.1005		3.3529	1.3545	3.7283
S3	2.1005	3.3529		3.7283	1.3545
H4	2.6405	1.3545	3.7283		3.5987
H5	2.6405	3.7283	1.3545	3.5987

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.321		S1	S3	H5	97.321
S2	S1	S3	105.899

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: CCSD=FULL/cc-pVDZ

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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