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	hartrees
Energy at 0K	-1195.932695
Energy at 298.15K
HF Energy	-1195.932695
Nuclear repulsion energy	196.315959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2677	2677	0.77
2	A	871	871	0.16
3	A	503	503	0.42
4	A	343	343	24.74
5	A	211	211	0.03
6	B	2676	2676	3.40
7	B	860	860	9.81
8	B	485	485	27.67
9	B	359	359	18.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.830
S2	0.000	1.662	-0.379
S3	0.000	-1.662	-0.379
H4	-1.334	1.761	-0.572
H5	1.334	-1.761	-0.572

	S1	S2	S3	H4	H5
S1		2.0552	2.0552	2.6168	2.6168
S2	2.0552		3.3234	1.3517	3.6787
S3	2.0552	3.3234		3.6787	1.3517
H4	2.6168	1.3517	3.6787		4.4188
H5	2.6168	3.6787	1.3517	4.4188

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.246		S1	S3	H5	98.246
S2	S1	S3	107.908

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B1B95/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	-0.065
2	S	-0.076
3	S	-0.076
4	H	0.108
5	H	0.108

	x	y	z	Total
	0.000	0.000	-0.635	0.635
CHELPG
AIM
ESP

	x	y	z
x	5.511	-0.763	0.000
y	-0.763	10.691	0.000
z	0.000	0.000	5.628

<r²>	138.628
(<r²>)^1/2	11.774