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	hartrees
Energy at 0K	-835.857014
Energy at 298.15K
HF Energy	-835.290127
Nuclear repulsion energy	142.299134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3109	2932	5.83
2	A	2732	2577	0.01
3	A	1487	1402	1.30
4	A	1232	1162	0.46
5	A	929	876	3.77
6	A	663	626	2.31
7	A	298	281	7.53
8	A	225	213	4.36
9	B	3166	2986	1.38
10	B	2732	2576	0.04
11	B	1293	1219	20.47
12	B	1030	972	18.36
13	B	807	761	15.39
14	B	727	686	0.48
15	B	243	229	29.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
S2	0.000	1.536	-0.179
S3	0.000	-1.536	-0.179
H4	0.878	-0.052	1.417
H5	-0.878	0.052	1.417
H6	1.103	1.271	-0.886
H7	-1.103	-1.271	-0.886

	C1	S2	S3	H4	H5	H6	H7
C1		1.8093	1.8093	1.0874	1.0874	2.3665	2.3665
S2	1.8093		3.0719	2.4167	2.3495	1.3372	3.0978
S3	1.8093	3.0719		2.3495	2.4167	3.0978	1.3372
H4	1.0874	2.4167	2.3495		1.7584	2.6661	3.2736
H5	1.0874	2.3495	2.4167	1.7584		3.2736	2.6661
H6	2.3665	1.3372	3.0978	2.6661	3.2736		3.3659
H7	2.3665	3.0978	1.3372	3.2736	2.6661	3.3659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.391	C1	S3	H7	96.391
S2	C1	S3	116.189	S2	C1	H4	110.593
S2	C1	H5	105.686	S3	C1	H4	105.686
S3	C1	H5	110.593	H4	C1	H5	107.895

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)