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	hartrees
Energy at 0K	-831.633043
Energy at 298.15K
HF Energy	-831.297254
Nuclear repulsion energy	141.178915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	253	241	5.86	12.73	0.63	0.78
2	A	313	298	22.59	11.05	0.69	0.82
3	A	644	613	4.24	14.32	0.18	0.30
4	A	956	909	5.72	12.81	0.64	0.78
5	A	1281	1219	1.27	25.35	0.71	0.83
6	A	1557	1481	3.25	20.54	0.73	0.85
7	A	2789	2653	1.38	99.77	0.17	0.29
8	A	3127	2975	6.08	76.96	0.12	0.21
9	B	268	255	49.53	2.29	0.75	0.86
10	B	751	714	25.22	5.40	0.75	0.86
11	B	769	731	0.62	6.70	0.75	0.86
12	B	1068	1016	24.90	7.49	0.75	0.86
13	B	1344	1279	15.60	4.24	0.75	0.86
14	B	2788	2652	3.36	77.73	0.75	0.86
15	B	3182	3027	0.44	58.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.796
S2	0.000	1.546	-0.183
S3	0.000	-1.546	-0.183
H4	0.883	-0.050	1.436
H5	-0.883	0.050	1.436
H6	1.103	1.266	-0.888
H7	-1.103	-1.266	-0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8300	1.8300	1.0921	1.0921	2.3776	2.3776
S2	1.8300		3.0920	2.4395	2.3747	1.3380	3.1018
S3	1.8300	3.0920		2.3747	2.4395	3.1018	1.3380
H4	1.0921	2.4395	2.3747		1.7695	2.6795	3.2896
H5	1.0921	2.3747	2.4395	1.7695		3.2896	2.6795
H6	2.3776	1.3380	3.1018	2.6795	3.2896		3.3584
H7	2.3776	3.1018	1.3380	3.2896	2.6795	3.3584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.022	C1	S3	H7	96.022
S2	C1	S3	115.305	S2	C1	H4	110.649
S2	C1	H5	105.941	S3	C1	H4	105.941
S3	C1	H5	110.649	H4	C1	H5	108.226

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)