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	hartrees
Energy at 0K	-836.551685
Energy at 298.15K	-836.545972
HF Energy	-835.204999
Nuclear repulsion energy	141.945616

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	260	245	7.37	10.77	0.63	0.77
2	A	317	299	20.62	6.95	0.63	0.77
3	A	697	657	4.87	23.83	0.17	0.30
4	A	997	940	4.46	10.43	0.62	0.77
5	A	1340	1263	1.19	21.28	0.71	0.83
6	A	1605	1513	1.38	16.92	0.75	0.86
7	A	2919	2750	5.34	134.92	0.19	0.32
8	A	3278	3088	12.95	91.49	0.15	0.25
9	B	268	252	42.73	0.95	0.75	0.86
10	B	785	739	0.79	2.12	0.75	0.86
11	B	843	795	24.48	17.90	0.75	0.86
12	B	1124	1059	37.90	6.54	0.75	0.86
13	B	1416	1335	28.12	0.51	0.75	0.86
14	B	2918	2750	12.61	117.32	0.75	0.86
15	B	3337	3144	1.79	71.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.540	-0.179
S3	0.000	-1.540	-0.179
H4	0.878	-0.054	1.422
H5	-0.878	0.054	1.422
H6	1.106	1.268	-0.887
H7	-1.106	-1.268	-0.887

	C1	S2	S3	H4	H5	H6	H7
C1		1.8131	1.8131	1.0909	1.0909	2.3666	2.3666
S2	1.8131		3.0801	2.4243	2.3547	1.3408	3.0995
S3	1.8131	3.0801		2.3547	2.4243	3.0995	1.3408
H4	1.0909	2.4243	2.3547		1.7601	2.6706	3.2776
H5	1.0909	2.3547	2.4243	1.7601		3.2776	2.6706
H6	2.3666	1.3408	3.0995	2.6706	3.2776		3.3642
H7	2.3666	3.0995	1.3408	3.2776	2.6706	3.3642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	97.616	C1	S3	H7	97.616
S2	C1	S3	116.582	S2	C1	H4	110.399
S2	C1	H5	105.768	S3	C1	H4	105.768
S3	C1	H5	110.399	H4	C1	H5	107.674

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)