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	hartrees
Energy at 0K	-836.523996
Energy at 298.15K
HF Energy	-836.383128
Nuclear repulsion energy	141.147462

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	238	238	5.64	10.46	0.60	0.75
2	A	306	306	18.84	7.47	0.64	0.78
3	A	647	647	3.64	15.14	0.19	0.32
4	A	926	926	4.41	10.19	0.52	0.69
5	A	1239	1239	1.39	21.27	0.67	0.81
6	A	1490	1490	1.46	17.01	0.74	0.85
7	A	2751	2751	2.84	117.98	0.16	0.27
8	A	3134	3134	8.97	90.93	0.11	0.20
9	B	260	260	43.38	1.03	0.75	0.86
10	B	730	730	1.68	1.41	0.75	0.86
11	B	769	769	28.53	10.54	0.75	0.86
12	B	1034	1034	29.63	7.27	0.75	0.86
13	B	1303	1303	27.85	3.05	0.75	0.86
14	B	2751	2751	8.03	91.78	0.75	0.86
15	B	3197	3197	1.33	65.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
S2	0.000	1.554	-0.179
S3	0.000	-1.554	-0.179
H4	0.878	-0.055	1.418
H5	-0.878	0.055	1.418
H6	1.113	1.296	-0.879
H7	-1.113	-1.296	-0.879

	C1	S2	S3	H4	H5	H6	H7
C1		1.8242	1.8242	1.0884	1.0884	2.3795	2.3795
S2	1.8242		3.1072	2.4311	2.3595	1.3400	3.1388
S3	1.8242	3.1072		2.3595	2.4311	3.1388	1.3400
H4	1.0884	2.4311	2.3595		1.7586	2.6758	3.2836
H5	1.0884	2.3595	2.4311	1.7586		3.2836	2.6758
H6	2.3795	1.3400	3.1388	2.6758	3.2836		3.4178
H7	2.3795	3.1388	1.3400	3.2836	2.6758	3.4178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.326	C1	S3	H7	96.326
S2	C1	S3	116.790	S2	C1	H4	110.615
S2	C1	H5	105.406	S3	C1	H4	105.406
S3	C1	H5	110.615	H4	C1	H5	107.773

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)