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	hartrees
Energy at 0K	-1195.850905
Energy at 298.15K	-1195.853187
HF Energy	-1195.850905
Nuclear repulsion energy	192.871620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2622	2527	14.06
2	A'	856	824	3.64
3	A'	475	458	0.45
4	A'	333	320	21.66
5	A'	199	192	0.13
6	A"	2623	2528	0.75
7	A"	843	812	6.46
8	A"	452	435	43.62
9	A"	309	297	9.41

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.837	0.000
S2	-0.054	-0.387	1.698
S3	-0.054	-0.387	-1.698
H4	1.288	-0.510	1.844
H5	1.288	-0.510	-1.844

	S1	S2	S3	H4	H5
S1		2.0926	2.0926	2.6483	2.6483
S2	2.0926		3.3957	1.3548	3.7897
S3	2.0926	3.3957		3.7897	1.3548
H4	2.6483	1.3548	3.7897		3.6889
H5	2.6483	3.7897	1.3548	3.6889

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.098		S1	S3	H5	98.098
S2	S1	S3	108.453

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: TPSSh/TZVP

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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Number	Element	Mulliken
1	S	-0.060
2	S	-0.082
3	S	-0.082
4	H	0.111
5	H	0.111

	x	y	z	Total
	2.033	-0.557	0.000	2.108
CHELPG
AIM
ESP

	x	y	z
x	5.656	-0.324	0.000
y	-0.324	6.075	0.000
z	0.000	0.000	11.645

<r²>	143.630
(<r²>)^1/2	11.985