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	hartrees
Energy at 0K	-836.582376
Energy at 298.15K
HF Energy	-836.428110
Nuclear repulsion energy	140.589413

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	221	213	3.97	4.87	0.38	0.55
2	A	292	281	8.39	1.30	0.22	0.36
3	A	633	608	3.05	16.63	0.14	0.25
4	A	894	860	3.77	9.53	0.08	0.16
5	A	1195	1149	0.50	3.58	0.70	0.83
6	A	1430	1376	0.75	9.20	0.61	0.76
7	A	2700	2597	0.03	150.33	0.06	0.12
8	A	3102	2983	6.94	107.39	0.07	0.12
9	B	238	229	34.70	0.17	0.75	0.86
10	B	708	681	1.56	0.43	0.75	0.86
11	B	751	723	29.86	6.50	0.75	0.86
12	B	997	959	15.27	1.21	0.75	0.86
13	B	1247	1199	27.71	0.08	0.75	0.86
14	B	2699	2596	0.45	54.00	0.75	0.86
15	B	3166	3045	1.67	58.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
S2	0.000	1.556	-0.181
S3	0.000	-1.556	-0.181
H4	0.887	-0.054	1.427
H5	-0.887	0.054	1.427
H6	1.121	1.291	-0.890
H7	-1.121	-1.291	-0.890

	C1	S2	S3	H4	H5	H6	H7
C1		1.8319	1.8319	1.0957	1.0957	2.3942	2.3942
S2	1.8319		3.1119	2.4423	2.3722	1.3527	3.1410
S3	1.8319	3.1119		2.3722	2.4423	3.1410	1.3527
H4	1.0957	2.4423	2.3722		1.7771	2.6892	3.3061
H5	1.0957	2.3722	2.4423	1.7771		3.3061	2.6892
H6	2.3942	1.3527	3.1410	2.6892	3.3061		3.4202
H7	2.3942	3.1410	1.3527	3.3061	2.6892	3.4202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.330	C1	S3	H7	96.330
S2	C1	S3	116.284	S2	C1	H4	110.539
S2	C1	H5	105.474	S3	C1	H4	105.474
S3	C1	H5	110.539	H4	C1	H5	108.382

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)