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	hartrees
Energy at 0K	-835.726679
Energy at 298.15K
HF Energy	-835.230806
Nuclear repulsion energy	142.264877

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	235	222	3.54	5.19	0.51	0.68
2	A	309	292	14.09	3.04	0.59	0.74
3	A	662	625	3.85	13.14	0.16	0.27
4	A	920	869	4.83	6.80	0.36	0.53
5	A	1222	1154	0.51	11.48	0.67	0.80
6	A	1480	1397	0.91	12.82	0.75	0.86
7	A	2785	2630	0.18	94.51	0.12	0.21
8	A	3145	2970	2.84	77.11	0.09	0.17
9	B	255	241	40.28	0.17	0.75	0.86
10	B	729	688	1.01	1.02	0.75	0.86
11	B	802	758	20.18	6.54	0.75	0.86
12	B	1017	961	18.98	4.56	0.75	0.86
13	B	1278	1207	24.42	1.12	0.75	0.86
14	B	2784	2630	0.50	66.17	0.75	0.86
15	B	3214	3036	0.82	53.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
S2	0.000	1.535	-0.179
S3	0.000	-1.535	-0.179
H4	0.880	-0.054	1.424
H5	-0.880	0.054	1.424
H6	1.084	1.241	-0.906
H7	-1.084	-1.241	-0.906

	C1	S2	S3	H4	H5	H6	H7
C1		1.8123	1.8123	1.0895	1.0895	2.3601	2.3601
S2	1.8123		3.0696	2.4228	2.3534	1.3371	3.0669
S3	1.8123	3.0696		2.3534	2.4228	3.0669	1.3371
H4	1.0895	2.4228	2.3534		1.7643	2.6729	3.2699
H5	1.0895	2.3534	2.4228	1.7643		3.2699	2.6729
H6	2.3601	1.3371	3.0669	2.6729	3.2699		3.2948
H7	2.3601	3.0669	1.3371	3.2699	2.6729	3.2948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.894	C1	S3	H7	95.894
S2	C1	S3	115.748	S2	C1	H4	110.737
S2	C1	H5	105.674	S3	C1	H4	105.674
S3	C1	H5	110.737	H4	C1	H5	108.121

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)