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	hartrees
Energy at 0K	-1194.211365
Energy at 298.15K	-1194.213712
HF Energy	-1193.755606
Nuclear repulsion energy	193.201137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2734	2571	12.58
2	A'	898	845	3.23
3	A'	491	461	0.49
4	A'	328	308	18.34
5	A'	207	195	0.07
6	A"	2736	2573	0.58
7	A"	887	834	3.67
8	A"	490	460	20.35
9	A"	302	284	10.70

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.865	0.000
S2	-0.054	-0.400	1.675
S3	-0.054	-0.400	-1.675
H4	1.287	-0.524	1.795
H5	1.287	-0.524	-1.795

	S1	S2	S3	H4	H5
S1		2.0984	2.0984	2.6362	2.6362
S2	2.0984		3.3499	1.3520	3.7225
S3	2.0984	3.3499		3.7225	1.3520
H4	2.6362	1.3520	3.7225		3.5909
H5	2.6362	3.7225	1.3520	3.5909

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.272		S1	S3	H5	97.272
S2	S1	S3	105.915

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP3=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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