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	hartrees
Energy at 0K	-60.110546
Energy at 298.15K
HF Energy	-59.919687
Nuclear repulsion energy	47.212701

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	244	235	9.21	38.13	0.68	0.81
2	A	288	278	30.38	33.79	0.72	0.84
3	A	597	575	4.52	19.99	0.11	0.20
4	A	896	863	2.90	17.06	0.70	0.83
5	A	1240	1195	1.59	23.60	0.75	0.85
6	A	1466	1412	1.33	13.83	0.75	0.86
7	A	2569	2474	10.68	154.04	0.14	0.25
8	A	3109	2995	20.43	105.29	0.07	0.12
9	B	255	245	52.72	17.52	0.75	0.86
10	B	713	687	21.97	5.95	0.75	0.86
11	B	730	703	3.54	11.75	0.75	0.86
12	B	1018	981	23.36	8.75	0.75	0.86
13	B	1326	1277	13.26	1.74	0.75	0.86
14	B	2569	2474	26.95	92.08	0.75	0.86
15	B	3197	3079	4.11	56.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.811
S2	0.000	1.612	-0.187
S3	0.000	-1.612	-0.187
H4	0.895	-0.056	1.446
H5	-0.895	0.056	1.446
H6	1.161	1.379	-0.880
H7	-1.161	-1.379	-0.880

	C1	S2	S3	H4	H5	H6	H7
C1		1.8961	1.8961	1.0986	1.0986	2.4716	2.4716
S2	1.8961		3.2240	2.5001	2.4269	1.3721	3.2820
S3	1.8961	3.2240		2.4269	2.5001	3.2820	1.3721
H4	1.0986	2.5001	2.4269		1.7930	2.7459	3.3744
H5	1.0986	2.4269	2.5001	1.7930		3.3744	2.7459
H6	2.4716	1.3721	3.2820	2.7459	3.3744		3.6048
H7	2.4716	3.2820	1.3721	3.3744	2.7459	3.6048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.963	C1	S3	H7	96.963
S2	C1	S3	116.457	S2	C1	H4	110.344
S2	C1	H5	105.130	S3	C1	H4	105.130
S3	C1	H5	110.344	H4	C1	H5	109.382

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)