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	hartrees
Energy at 0K	-1194.430376
Energy at 298.15K	-1194.432733
HF Energy	-1193.813681
Nuclear repulsion energy	194.851537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2669	2598
2	A'	880	856
3	A'	491	478
4	A'	329	320
5	A'	203	198
6	A"	2672	2601
7	A"	868	845
8	A"	489	476
9	A"	317	309

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.849	0.000
S2	-0.053	-0.392	1.666
S3	-0.053	-0.392	-1.666
H4	1.281	-0.513	1.794
H5	1.281	-0.513	-1.794

	S1	S2	S3	H4	H5
S1		2.0774	2.0774	2.6181	2.6181
S2	2.0774		3.3310	1.3461	3.7100
S3	2.0774	3.3310		3.7100	1.3461
H4	2.6181	1.3461	3.7100		3.5880
H5	2.6181	3.7100	1.3461	3.5880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.469		S1	S3	H5	97.469
S2	S1	S3	106.593

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP4/aug-cc-pVTZ

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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