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	hartrees
Energy at 0K	-1195.488462
Energy at 298.15K	-1195.490835
HF Energy	-1195.279024
Nuclear repulsion energy	195.002034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2666	2548	3.74
2	A'	884	845	2.60
3	A'	492	471	0.29
4	A'	338	323	15.17
5	A'	205	196	0.04
6	A"	2668	2550	0.33
7	A"	872	834	6.14
8	A"	481	460	28.64
9	A"	324	309	7.93

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.838	0.000
S2	-0.053	-0.387	1.671
S3	-0.053	-0.387	-1.671
H4	1.278	-0.508	1.814
H5	1.278	-0.508	-1.814

	S1	S2	S3	H4	H5
S1		2.0724	2.0724	2.6224	2.6224
S2	2.0724		3.3422	1.3448	3.7329
S3	2.0724	3.3422		3.7329	1.3448
H4	2.6224	1.3448	3.7329		3.6282
H5	2.6224	3.7329	1.3448	3.6282

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.981		S1	S3	H5	97.981
S2	S1	S3	107.487

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP=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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