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	hartrees
Energy at 0K	-831.283899
Energy at 298.15K
HF Energy	-831.074243
Nuclear repulsion energy	136.563122

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	242	231	5.58	22.21	0.64	0.78
2	A	284	271	32.31	22.63	0.73	0.84
3	A	584	558	5.41	18.16	0.17	0.29
4	A	887	847	5.21	21.36	0.69	0.82
5	A	1237	1181	1.27	26.78	0.74	0.85
6	A	1537	1467	2.41	19.50	0.75	0.86
7	A	2478	2365	7.52	126.10	0.19	0.32
8	A	3175	3031	4.05	76.69	0.12	0.21
9	B	244	233	55.22	6.49	0.75	0.86
10	B	700	668	29.90	9.35	0.75	0.86
11	B	726	693	0.53	8.60	0.75	0.86
12	B	1007	961	28.84	10.75	0.75	0.86
13	B	1302	1242	20.60	2.02	0.75	0.86
14	B	2478	2365	24.82	97.43	0.75	0.86
15	B	3247	3100	0.01	57.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.830
S2	0.000	1.604	-0.191
S3	0.000	-1.604	-0.191
H4	0.890	-0.052	1.452
H5	-0.890	0.052	1.452
H6	1.151	1.336	-0.888
H7	-1.151	-1.336	-0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.9013	1.9013	1.0877	1.0877	2.4619	2.4619
S2	1.9013		3.2080	2.4970	2.4295	1.3721	3.2335
S3	1.9013	3.2080		2.4295	2.4970	3.2335	1.3721
H4	1.0877	2.4970	2.4295		1.7839	2.7334	3.3607
H5	1.0877	2.4295	2.4970	1.7839		3.3607	2.7334
H6	2.4619	1.3721	3.2335	2.7334	3.3607		3.5273
H7	2.4619	3.2335	1.3721	3.3607	2.7334	3.5273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.202	C1	S3	H7	96.202
S2	C1	S3	115.055	S2	C1	H4	110.334
S2	C1	H5	105.486	S3	C1	H4	105.486
S3	C1	H5	110.334	H4	C1	H5	110.183

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)