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	hartrees
Energy at 0K	-836.015421
Energy at 298.15K
HF Energy	-835.300951
Nuclear repulsion energy	142.254683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3115	3002
2	A	2704	2606
3	A	1472	1418
4	A	1213	1169
5	A	917	884
6	A	652	628
7	A	296	285
8	A	218	210
9	B	3138	3024
10	B	2704	2606
11	B	1266	1220
12	B	1012	975
13	B	785	757
14	B	718	692
15	B	233	224

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.787
S2	0.000	1.534	-0.180
S3	0.000	-1.534	-0.180
H4	0.878	-0.050	1.423
H5	-0.878	0.050	1.423
H6	1.084	1.232	-0.906
H7	-1.084	-1.232	-0.906

	C1	S2	S3	H4	H5	H6	H7
C1		1.8139	1.8139	1.0851	1.0851	2.3582	2.3582
S2	1.8139		3.0690	2.4186	2.3545	1.3392	3.0591
S3	1.8139	3.0690		2.3545	2.4186	3.0591	1.3392
H4	1.0851	2.4186	2.3545		1.7594	2.6662	3.2667
H5	1.0851	2.3545	2.4186	1.7594		3.2667	2.6662
H6	2.3582	1.3392	3.0591	2.6662	3.2667		3.2826
H7	2.3582	3.0591	1.3392	3.2667	2.6662	3.2826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.640	C1	S3	H7	95.640
S2	C1	S3	115.548	S2	C1	H4	110.551
S2	C1	H5	105.863	S3	C1	H4	105.863
S3	C1	H5	110.551	H4	C1	H5	108.332

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)