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	hartrees
Energy at 0K	-1194.230316
Energy at 298.15K	-1194.232618
HF Energy	-1193.755202
Nuclear repulsion energy	192.355321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2679	2569
2	A'	878	842
3	A'	475	456
4	A'	329	315
5	A'	200	192
6	A"	2681	2571
7	A"	866	830
8	A"	469	450
9	A"	305	292

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.866	0.000
S2	-0.054	-0.400	1.684
S3	-0.054	-0.400	-1.684
H4	1.292	-0.524	1.805
H5	1.292	-0.524	-1.805

	S1	S2	S3	H4	H5
S1		2.1071	2.1071	2.6463	2.6463
S2	2.1071		3.3682	1.3569	3.7420
S3	2.1071	3.3682		3.7420	1.3569
H4	2.6463	1.3569	3.7420		3.6106
H5	2.6463	3.7420	1.3569	3.6106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.253		S1	S3	H5	97.253
S2	S1	S3	106.119

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: QCISD(T)=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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