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	hartrees
Energy at 0K	-1195.775286
Energy at 298.15K	-1195.777588
HF Energy	-1195.775286
Nuclear repulsion energy	192.187414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2632	2533	18.51
2	A'	875	842	5.67
3	A'	467	449	0.43
4	A'	343	330	22.93
5	A'	200	192	0.15
6	A"	2633	2535	0.58
7	A"	865	833	9.83
8	A"	448	432	41.08
9	A"	323	311	10.12

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.838	0.000
S2	-0.054	-0.387	1.706
S3	-0.054	-0.387	-1.706
H4	1.285	-0.513	1.865
H5	1.285	-0.513	-1.865

	S1	S2	S3	H4	H5
S1		2.0998	2.0998	2.6635	2.6635
S2	2.0998		3.4116	1.3538	3.8154
S3	2.0998	3.4116		3.8154	1.3538
H4	2.6635	1.3538	3.8154		3.7298
H5	2.6635	3.8154	1.3538	3.7298

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.625		S1	S3	H5	98.625
S2	S1	S3	108.658

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.038
2	S	-0.062
3	S	-0.062
4	H	0.081
5	H	0.081

	x	y	z	Total
	2.072	-0.540	0.000	2.141
CHELPG
AIM
ESP

	x	y	z
x	6.384	-0.290	0.000
y	-0.290	7.264	0.000
z	0.000	0.000	12.772

<r²>	145.148
(<r²>)^1/2	12.048