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	hartrees
Energy at 0K	-1194.210262
Energy at 298.15K	-1194.212645
HF Energy	-1193.765902
Nuclear repulsion energy	193.811009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2739	2562	14.27
2	A'	911	852	5.82
3	A'	496	464	0.63
4	A'	335	313	19.77
5	A'	209	196	0.11
6	A"	2741	2564	0.19
7	A"	901	843	5.62
8	A"	500	468	20.97
9	A"	307	287	11.49

Atom	x (Å)	y (Å)	z (Å)
S1	-0.053	0.856	0.000
S2	-0.053	-0.395	1.674
S3	-0.053	-0.395	-1.674
H4	1.276	-0.524	1.801
H5	1.276	-0.524	-1.801

	S1	S2	S3	H4	H5
S1		2.0905	2.0905	2.6302	2.6302
S2	2.0905		3.3485	1.3419	3.7233
S3	2.0905	3.3485		3.7233	1.3419
H4	2.6302	1.3419	3.7233		3.6024
H5	2.6302	3.7233	1.3419	3.6024

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	97.649		S1	S3	H5	97.649
S2	S1	S3	106.427

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: MP3/TZVP

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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