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	hartrees
Energy at 0K	-1194.131599
Energy at 298.15K	-1194.133966
HF Energy	-1193.683010
Nuclear repulsion energy	193.933922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2650	2650
2	A'	914	914
3	A'	485	485
4	A'	345	345
5	A'	208	208
6	A"	2651	2651
7	A"	905	905
8	A"	487	487
9	A"	320	320

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.845	0.000
S2	-0.054	-0.389	1.679
S3	-0.054	-0.389	-1.679
H4	1.284	-0.528	1.834
H5	1.284	-0.528	-1.834

	S1	S2	S3	H4	H5
S1		2.0834	2.0834	2.6525	2.6525
S2	2.0834		3.3574	1.3538	3.7614
S3	2.0834	3.3574		3.7614	1.3538
H4	2.6525	1.3538	3.7614		3.6681
H5	2.6525	3.7614	1.3538	3.6681

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.795		S1	S3	H5	98.795
S2	S1	S3	107.364

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: QCISD(T)=FULL/6-31G*

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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