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	hartrees
Energy at 0K	-1194.278003
Energy at 298.15K	-1194.280294
HF Energy	-1193.764554
Nuclear repulsion energy	191.847494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2655	2576
2	A'	866	840
3	A'	469	455
4	A'	330	321
5	A'	196	191
6	A"	2658	2578
7	A"	855	829
8	A"	461	447
9	A"	309	300

Atom	x (Å)	y (Å)	z (Å)
S1	-0.054	0.872	0.000
S2	-0.054	-0.404	1.686
S3	-0.054	-0.404	-1.686
H4	1.295	-0.513	1.807
H5	1.295	-0.513	-1.807

	S1	S2	S3	H4	H5
S1		2.1144	2.1144	2.6468	2.6468
S2	2.1144		3.3716	1.3589	3.7462
S3	2.1144	3.3716		3.7462	1.3589
H4	2.6468	1.3589	3.7462		3.6147
H5	2.6468	3.7462	1.3589	3.6147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	96.882		S1	S3	H5	96.882
S2	S1	S3	105.749

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: QCISD(T)=FULL/aug-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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