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	hartrees
Energy at 0K	-1195.696456
Energy at 298.15K
HF Energy	-1195.696456
Nuclear repulsion energy	195.219170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2653	2653	0.85
2	A	874	874	0.20
3	A	492	492	0.32
4	A	332	332	25.69
5	A	208	208	0.03
6	B	2651	2651	4.01
7	B	860	860	8.62
8	B	471	471	31.14
9	B	354	354	18.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.830
S2	0.000	1.674	-0.379
S3	0.000	-1.674	-0.379
H4	-1.339	1.782	-0.571
H5	1.339	-1.782	-0.571

	S1	S2	S3	H4	H5
S1		2.0656	2.0656	2.6327	2.6327
S2	2.0656		3.3487	1.3565	3.7116
S3	2.0656	3.3487		3.7116	1.3565
H4	2.6327	1.3565	3.7116		4.4578
H5	2.6327	3.7116	1.3565	4.4578

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.459		S1	S3	H5	98.459
S2	S1	S3	108.306

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B3PW91/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	-0.066
2	S	-0.082
3	S	-0.082
4	H	0.115
5	H	0.115

	x	y	z	Total
	0.000	0.000	-0.641	0.641
CHELPG
AIM
ESP

	x	y	z
x	5.550	-0.785	0.000
y	-0.785	10.929	0.000
z	0.000	0.000	5.657

<r²>	140.196
(<r²>)^1/2	11.840