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	hartrees
Energy at 0K	-836.669619
Energy at 298.15K
HF Energy	-836.466954
Nuclear repulsion energy	141.605394

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	217	208	4.69	8.86	0.65	0.79
2	A	294	281	9.71	6.40	0.56	0.72
3	A	639	611	2.71	13.38	0.12	0.21
4	A	910	869	3.80	5.65	0.26	0.42
5	A	1213	1159	0.53	7.25	0.65	0.79
6	A	1468	1404	1.05	10.54	0.72	0.84
7	A	2714	2594	0.16	131.07	0.09	0.17
8	A	3104	2967	7.41	105.75	0.07	0.13
9	B	246	235	36.27	1.43	0.75	0.86
10	B	717	685	1.46	0.48	0.75	0.86
11	B	759	725	25.64	6.86	0.75	0.86
12	B	1012	967	16.33	2.48	0.75	0.86
13	B	1268	1211	25.05	0.29	0.75	0.86
14	B	2714	2594	0.66	70.82	0.75	0.86
15	B	3155	3016	1.39	59.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.547	-0.179
S3	0.000	-1.547	-0.179
H4	0.877	-0.055	1.414
H5	-0.877	0.055	1.414
H6	1.107	1.283	-0.886
H7	-1.107	-1.283	-0.886

	C1	S2	S3	H4	H5	H6	H7
C1		1.8190	1.8190	1.0847	1.0847	2.3752	2.3752
S2	1.8190		3.0935	2.4230	2.3523	1.3400	3.1196
S3	1.8190	3.0935		2.3523	2.4230	3.1196	1.3400
H4	1.0847	2.4230	2.3523		1.7576	2.6707	3.2767
H5	1.0847	2.3523	2.4230	1.7576		3.2767	2.6707
H6	2.3752	1.3400	3.1196	2.6707	3.2767		3.3888
H7	2.3752	3.1196	1.3400	3.2767	2.6707	3.3888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.329	C1	S3	H7	96.329
S2	C1	S3	116.500	S2	C1	H4	110.564
S2	C1	H5	105.404	S3	C1	H4	105.404
S3	C1	H5	110.564	H4	C1	H5	108.232

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)