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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2 trans	¹A
1	2	no	CS cis	¹A^'

	hartrees
Energy at 0K	-1194.099113
Energy at 298.15K	-1194.101477
HF Energy	-1193.683652
Nuclear repulsion energy	194.012981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	2684	2563
2	A	915	874
3	A	489	467
4	A	314	300
5	A	208	198
6	B	2684	2563
7	B	901	860
8	B	491	469
9	B	345	329

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.847
S2	0.000	1.679	-0.387
S3	0.000	-1.679	-0.387
H4	-1.331	1.783	-0.591
H5	1.331	-1.783	-0.591

	S1	S2	S3	H4	H5
S1		2.0832	2.0832	2.6499	2.6499
S2	2.0832		3.3573	1.3511	3.7147
S3	2.0832	3.3573		3.7147	1.3511
H4	2.6499	1.3511	3.7147		4.4509
H5	2.6499	3.7147	1.3511	4.4509

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP4/6-31G*

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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	hartrees
Energy at 0K	-1194.098678
Energy at 298.15K	-1194.101058
HF Energy	-1193.683146
Nuclear repulsion energy	194.058743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2675	2554
2	A'	917	875
3	A'	490	468
4	A'	346	330
5	A'	209	200
6	A"	2676	2555
7	A"	908	867
8	A"	493	471
9	A"	321	306

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.843	0.000
S2	-0.053	-0.389	1.678
S3	-0.053	-0.389	-1.678
H4	1.282	-0.528	1.833
H5	1.282	-0.528	-1.833

	S1	S2	S3	H4	H5
S1		2.0820	2.0820	2.6505	2.6505
S2	2.0820		3.3565	1.3520	3.7594
S3	2.0820	3.3565		3.7594	1.3520
H4	2.6505	1.3520	3.7594		3.6660
H5	2.6505	3.7594	1.3520	3.6660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.755		S1	S3	H5	98.755
S2	S1	S3	107.378

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.813		S1	S3	H5	98.813
S2	S1	S3	107.432