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	hartrees
Energy at 0K	-1194.162185
Energy at 298.15K	-1194.164530
HF Energy	-1193.693382
Nuclear repulsion energy	193.980115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2719	2719
2	A'	910	910
3	A'	481	481
4	A'	334	334
5	A'	205	205
6	A"	2722	2722
7	A"	902	902
8	A"	483	483
9	A"	310	310

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.846	0.000
S2	-0.053	-0.390	1.679
S3	-0.053	-0.390	-1.679
H4	1.273	-0.526	1.821
H5	1.273	-0.526	-1.821

	S1	S2	S3	H4	H5
S1		2.0854	2.0854	2.6376	2.6376
S2	2.0854		3.3584	1.3402	3.7451
S3	2.0854	3.3584		3.7451	1.3402
H4	2.6376	1.3402	3.7451		3.6416
H5	2.6376	3.7451	1.3402	3.6416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	98.351		S1	S3	H5	98.351
S2	S1	S3	107.260

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: QCISD(T)=FULL/6-31+G**

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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