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	hartrees
Energy at 0K	-1195.285696
Energy at 298.15K
HF Energy	-1195.285696
Nuclear repulsion energy	193.639331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2559	2559	1.31
2	A	832	832	0.42
3	A	472	472	0.15
4	A	337	337	22.96
5	A	199	199	0.03
6	B	2556	2556	8.15
7	B	818	818	11.07
8	B	439	439	36.67
9	B	355	355	18.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.827
S2	0.000	1.695	-0.378
S3	0.000	-1.695	-0.378
H4	-1.351	1.806	-0.573
H5	1.351	-1.806	-0.573

	S1	S2	S3	H4	H5
S1		2.0793	2.0793	2.6549	2.6549
S2	2.0793		3.3895	1.3692	3.7577
S3	2.0793	3.3895		3.7577	1.3692
H4	2.6549	1.3692	3.7577		4.5110
H5	2.6549	3.7577	1.3692	4.5110

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.586		S1	S3	H5	98.586
S2	S1	S3	109.184

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: PBEPBE/cc-pV(D+d)Z

States and conformations

	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	-0.068
2	S	-0.076
3	S	-0.076
4	H	0.110
5	H	0.110

	x	y	z	Total
	0.000	0.000	-0.631	0.631
CHELPG
AIM
ESP

	x	y	z
x	5.693	-0.865	0.000
y	-0.865	11.586	0.000
z	0.000	0.000	5.715

<r²>	142.510
(<r²>)^1/2	11.938