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	hartrees
Energy at 0K	-1194.215001
Energy at 298.15K	-1194.217372
HF Energy	-1193.765791
Nuclear repulsion energy	193.518566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2705	2582	16.92
2	A'	906	865	5.59
3	A'	492	469	0.50
4	A'	333	318	19.19
5	A'	208	198	0.11
6	A"	2707	2583	0.31
7	A"	896	855	6.19
8	A"	498	475	19.75
9	A"	306	292	11.09

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.858	0.000
S2	-0.053	-0.396	1.677
S3	-0.053	-0.396	-1.677
H4	1.279	-0.524	1.806
H5	1.279	-0.524	-1.806

	S1	S2	S3	H4	H5
S1		2.0936	2.0936	2.6352	2.6352
S2	2.0936		3.3531	1.3447	3.7306
S3	2.0936	3.3531		3.7306	1.3447
H4	2.6352	1.3447	3.7306		3.6112
H5	2.6352	3.7306	1.3447	3.6112

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.682		S1	S3	H5	97.682
S2	S1	S3	106.415

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: CCSD/TZVP

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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