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	hartrees
Energy at 0K	-1195.359101
Energy at 298.15K	-1195.361425
HF Energy	-1195.224761
Nuclear repulsion energy	192.798277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2663	2551	10.54
2	A'	875	838	2.11
3	A'	483	463	0.42
4	A'	335	321	18.54
5	A'	202	193	0.07
6	A"	2665	2552	0.76
7	A"	863	826	4.75
8	A"	469	449	31.18
9	A"	313	299	9.52

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.852	0.000
S2	-0.054	-0.394	1.688
S3	-0.054	-0.394	-1.688
H4	1.292	-0.518	1.823
H5	1.292	-0.518	-1.823

	S1	S2	S3	H4	H5
S1		2.0977	2.0977	2.6476	2.6476
S2	2.0977		3.3759	1.3582	3.7616
S3	2.0977	3.3759		3.7616	1.3582
H4	2.6476	1.3582	3.7616		3.6451
H5	2.6476	3.7616	1.3582	3.6451

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.711		S1	S3	H5	97.711
S2	S1	S3	107.153

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP/cc-pVDZ

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	-0.055
2	S	-0.068
3	S	-0.068
4	H	0.095
5	H	0.095

	x	y	z	Total
	1.925	-0.504	0.000	1.990
CHELPG
AIM
ESP

	x	y	z
x	5.518	-0.370	0.000
y	-0.370	5.670	0.000
z	0.000	0.000	10.900

<r²>	142.954
(<r²>)^1/2	11.956