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	hartrees
Energy at 0K	-835.764785
Energy at 298.15K
HF Energy	-835.259820
Nuclear repulsion energy	140.245945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3107	3036
2	A	2722	2659
3	A	1501	1467
4	A	1248	1219
5	A	933	911
6	A	659	643
7	A	314	306
8	A	248	242
9	B	3168	3095
10	B	2722	2659
11	B	1324	1293
12	B	1042	1018
13	B	790	772
14	B	740	723
15	B	263	257

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.797
S2	0.000	1.557	-0.183
S3	0.000	-1.557	-0.183
H4	0.894	-0.053	1.441
H5	-0.894	0.053	1.441
H6	1.104	1.257	-0.910
H7	-1.104	-1.257	-0.910

	C1	S2	S3	H4	H5	H6	H7
C1		1.8396	1.8396	1.1025	1.1025	2.3904	2.3904
S2	1.8396		3.1140	2.4549	2.3864	1.3556	3.1094
S3	1.8396	3.1140		2.3864	2.4549	3.1094	1.3556
H4	1.1025	2.4549	2.3864		1.7902	2.6995	3.3115
H5	1.1025	2.3864	2.4549	1.7902		3.3115	2.6995
H6	2.3904	1.3556	3.1094	2.6995	3.3115		3.3465
H7	2.3904	3.1094	1.3556	3.3115	2.6995	3.3465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.661	C1	S3	H7	95.661
S2	C1	S3	115.639	S2	C1	H4	110.594
S2	C1	H5	105.668	S3	C1	H4	105.668
S3	C1	H5	110.594	H4	C1	H5	108.568

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HSCH2SH (Methanedithiol)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)