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	hartrees
Energy at 0K	-835.742432
Energy at 298.15K
HF Energy	-835.270243
Nuclear repulsion energy	141.044236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	2987	12.51
2	A	2737	2613	1.91
3	A	1466	1399	0.31
4	A	1225	1169	0.97
5	A	923	881	4.40
6	A	654	624	3.28
7	A	301	287	13.17
8	A	228	218	6.17
9	B	3192	3046	2.31
10	B	2737	2612	6.57
11	B	1316	1256	28.05
12	B	1032	985	24.04
13	B	788	752	19.83
14	B	727	694	0.64
15	B	257	245	38.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.554	-0.180
S3	0.000	-1.554	-0.180
H4	0.879	-0.053	1.417
H5	-0.879	0.053	1.417
H6	1.118	1.290	-0.875
H7	-1.118	-1.290	-0.875

	C1	S2	S3	H4	H5	H6	H7
C1		1.8267	1.8267	1.0872	1.0872	2.3768	2.3768
S2	1.8267		3.1087	2.4307	2.3616	1.3421	3.1339
S3	1.8267	3.1087		2.3616	2.4307	3.1339	1.3421
H4	1.0872	2.4307	2.3616		1.7610	2.6672	3.2815
H5	1.0872	2.3616	2.4307	1.7610		3.2815	2.6672
H6	2.3768	1.3421	3.1339	2.6672	3.2815		3.4134
H7	2.3768	3.1339	1.3421	3.2815	2.6672	3.4134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.983	C1	S3	H7	95.983
S2	C1	S3	116.618	S2	C1	H4	110.477
S2	C1	H5	105.457	S3	C1	H4	105.457
S3	C1	H5	110.477	H4	C1	H5	108.166

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)