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	hartrees
Energy at 0K	-1195.371887
Energy at 298.15K	-1195.374277
HF Energy	-1195.187463
Nuclear repulsion energy	195.410984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2681	2681	2.52
2	A'	891	891	3.35
3	A'	500	500	0.35
4	A'	341	341	17.30
5	A'	207	207	0.05
6	A"	2683	2683	0.17
7	A"	879	879	8.13
8	A"	492	492	28.37
9	A"	328	328	8.77

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.833	0.000
S2	-0.053	-0.385	1.669
S3	-0.053	-0.385	-1.669
H4	1.278	-0.510	1.820
H5	1.278	-0.510	-1.820

	S1	S2	S3	H4	H5
S1		2.0663	2.0663	2.6245	2.6245
S2	2.0663		3.3389	1.3452	3.7371
S3	2.0663	3.3389		3.7371	1.3452
H4	2.6245	1.3452	3.7371		3.6408
H5	2.6245	3.7371	1.3452	3.6408

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.367		S1	S3	H5	98.367
S2	S1	S3	107.788

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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