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	hartrees
Energy at 0K	-1194.192879
Energy at 298.15K	-1194.195224
HF Energy	-1193.755545
Nuclear repulsion energy	193.090502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2726	2584	12.55
2	A'	897	851	3.20
3	A'	491	466	0.49
4	A'	327	310	18.38
5	A'	207	196	0.07
6	A"	2728	2586	0.57
7	A"	886	840	3.59
8	A"	490	465	20.36
9	A"	302	286	10.71

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.865	0.000
S2	-0.054	-0.400	1.676
S3	-0.054	-0.400	-1.676
H4	1.289	-0.524	1.797
H5	1.289	-0.524	-1.797

	S1	S2	S3	H4	H5
S1		2.0994	2.0994	2.6380	2.6380
S2	2.0994		3.3522	1.3534	3.7253
S3	2.0994	3.3522		3.7253	1.3534
H4	2.6380	1.3534	3.7253		3.5935
H5	2.6380	3.7253	1.3534	3.5935

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.275		S1	S3	H5	97.275
S2	S1	S3	105.947

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP3/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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