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	hartrees
Energy at 0K	-1195.848805
Energy at 298.15K	-1195.851106
HF Energy	-1195.848805
Nuclear repulsion energy	191.765593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2610	2514	14.14
2	A'	867	835	3.13
3	A'	466	449	0.47
4	A'	344	332	20.81
5	A'	197	190	0.09
6	A"	2611	2516	0.38
7	A"	855	824	5.33
8	A"	445	428	40.12
9	A"	321	309	9.46

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.845	0.000
S2	-0.054	-0.390	1.706
S3	-0.054	-0.390	-1.706
H4	1.288	-0.516	1.851
H5	1.288	-0.516	-1.851

	S1	S2	S3	H4	H5
S1		2.1066	2.1066	2.6606	2.6606
S2	2.1066		3.4122	1.3557	3.8037
S3	2.1066	3.4122		3.8037	1.3557
H4	2.6606	1.3557	3.8037		3.7014
H5	2.6606	3.8037	1.3557	3.7014

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.083		S1	S3	H5	98.083
S2	S1	S3	108.169

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B3LYPultrafine/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	-0.053
2	S	-0.073
3	S	-0.073
4	H	0.100
5	H	0.100

	x	y	z	Total
	1.993	-0.533	0.000	2.063
CHELPG
AIM
ESP

	x	y	z
x	5.728	-0.326	0.000
y	-0.326	6.190	0.000
z	0.000	0.000	11.766

<r²>	145.106
(<r²>)^1/2	12.046