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	hartrees
Energy at 0K	-836.657873
Energy at 298.15K
HF Energy	-836.441361
Nuclear repulsion energy	141.067341

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	235	235	8.55	11.86	0.65	0.78
2	A	299	299	14.28	9.46	0.67	0.80
3	A	643	643	2.54	14.83	0.16	0.28
4	A	915	915	5.27	6.71	0.42	0.59
5	A	1233	1233	2.19	13.00	0.66	0.79
6	A	1459	1459	1.34	13.15	0.72	0.84
7	A	2726	2726	0.59	141.87	0.16	0.27
8	A	3110	3110	9.57	100.95	0.09	0.17
9	B	260	260	39.88	2.83	0.75	0.86
10	B	719	719	2.68	0.44	0.75	0.86
11	B	760	760	35.57	9.89	0.75	0.86
12	B	1026	1026	33.60	4.84	0.75	0.86
13	B	1296	1296	29.81	0.88	0.75	0.86
14	B	2725	2725	2.60	95.12	0.75	0.86
15	B	3166	3166	1.38	66.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.771
S2	0.000	1.556	-0.180
S3	0.000	-1.556	-0.180
H4	0.877	-0.055	1.412
H5	-0.877	0.055	1.412
H6	1.142	1.321	-0.844
H7	-1.142	-1.321	-0.844

	C1	S2	S3	H4	H5	H6	H7
C1		1.8232	1.8232	1.0883	1.0883	2.3782	2.3782
S2	1.8232		3.1115	2.4286	2.3577	1.3421	3.1652
S3	1.8232	3.1115		2.3577	2.4286	3.1652	1.3421
H4	1.0883	2.4286	2.3577		1.7578	2.6557	3.2822
H5	1.0883	2.3577	2.4286	1.7578		3.2822	2.6557
H6	2.3782	1.3421	3.1652	2.6557	3.2822		3.4920
H7	2.3782	3.1652	1.3421	3.2822	2.6557	3.4920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.226	C1	S3	H7	96.226
S2	C1	S3	117.145	S2	C1	H4	110.501
S2	C1	H5	105.352	S3	C1	H4	105.352
S3	C1	H5	110.501	H4	C1	H5	107.728

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)