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	hartrees
Energy at 0K	-836.575005
Energy at 298.15K
HF Energy	-836.395481
Nuclear repulsion energy	141.666129

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	226	226	4.34	6.25	0.53	0.69
2	A	301	301	12.98	3.52	0.55	0.71
3	A	644	644	3.46	14.52	0.16	0.27
4	A	914	914	3.96	7.00	0.33	0.50
5	A	1214	1214	0.63	12.05	0.68	0.81
6	A	1470	1470	0.70	13.68	0.75	0.86
7	A	2731	2731	0.16	102.09	0.12	0.22
8	A	3116	3116	5.70	82.17	0.10	0.17
9	B	252	252	38.16	0.21	0.75	0.86
10	B	719	719	1.30	0.94	0.75	0.86
11	B	770	770	26.41	7.27	0.75	0.86
12	B	1016	1016	19.17	4.77	0.75	0.86
13	B	1270	1270	28.73	1.25	0.75	0.86
14	B	2731	2731	0.27	71.35	0.75	0.86
15	B	3177	3177	0.78	57.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.545	-0.179
S3	0.000	-1.545	-0.179
H4	0.879	-0.055	1.418
H5	-0.879	0.055	1.418
H6	1.101	1.276	-0.895
H7	-1.101	-1.276	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8176	1.8176	1.0887	1.0887	2.3749	2.3749
S2	1.8176		3.0903	2.4258	2.3542	1.3404	3.1120
S3	1.8176	3.0903		2.3542	2.4258	3.1120	1.3404
H4	1.0887	2.4258	2.3542		1.7619	2.6782	3.2803
H5	1.0887	2.3542	2.4258	1.7619		3.2803	2.6782
H6	2.3749	1.3404	3.1120	2.6782	3.2803		3.3706
H7	2.3749	3.1120	1.3404	3.2803	2.6782	3.3706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.363	C1	S3	H7	96.363
S2	C1	S3	116.451	S2	C1	H4	110.650
S2	C1	H5	105.436	S3	C1	H4	105.436
S3	C1	H5	110.650	H4	C1	H5	108.028

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)