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	hartrees
Energy at 0K	-1195.680753
Energy at 298.15K	-1195.682721
HF Energy	-1195.680753
Nuclear repulsion energy	180.743295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2496	2402	84.68
2	A'	788	759	4.80
3	A'	417	401	0.79
4	A'	293	282	33.54
5	A'	164	158	0.29
6	A"	2495	2401	0.29
7	A"	788	758	1.44
8	A"	401	386	40.20
9	A"	258	249	11.05

Atom	x (Å)	y (Å)	z (Å)
S1	-0.055	0.907	0.000
S2	-0.055	-0.421	1.811
S3	-0.055	-0.421	-1.811
H4	1.315	-0.521	1.960
H5	1.315	-0.521	-1.960

	S1	S2	S3	H4	H5
S1		2.2457	2.2457	2.7853	2.7853
S2	2.2457		3.6220	1.3812	4.0135
S3	2.2457	3.6220		4.0135	1.3812
H4	2.7853	1.3812	4.0135		3.9206
H5	2.7853	4.0135	1.3812	3.9206

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.476		S1	S3	H5	97.476
S2	S1	S3	107.499

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: TPSSh/6-31G

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	-0.051
2	S	-0.056
3	S	-0.056
4	H	0.082
5	H	0.082

	x	y	z	Total
	2.639	-0.499	0.000	2.686
CHELPG
AIM
ESP

	x	y	z
x	5.386	-0.358	0.000
y	-0.358	6.036	0.000
z	0.000	0.000	13.402

<r²>	161.031
(<r²>)^1/2	12.690