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	hartrees
Energy at 0K	-835.792773
Energy at 298.15K
HF Energy	-835.299682
Nuclear repulsion energy	142.563166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	2954	7.25
2	A	2818	2611	0.09
3	A	1518	1406	1.05
4	A	1259	1167	0.40
5	A	947	878	3.85
6	A	677	627	3.16
7	A	304	282	10.47
8	A	230	213	5.09
9	B	3247	3008	1.11
10	B	2817	2610	0.31
11	B	1322	1225	22.33
12	B	1053	976	18.54
13	B	825	764	16.93
14	B	743	688	0.36
15	B	249	231	34.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
S2	0.000	1.534	-0.178
S3	0.000	-1.534	-0.178
H4	0.872	-0.051	1.412
H5	-0.872	0.051	1.412
H6	1.089	1.271	-0.896
H7	-1.089	-1.271	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8074	1.8074	1.0802	1.0802	2.3664	2.3664
S2	1.8074		3.0685	2.4091	2.3432	1.3306	3.0934
S3	1.8074	3.0685		2.3432	2.4091	3.0934	1.3306
H4	1.0802	2.4091	2.3432		1.7476	2.6687	3.2653
H5	1.0802	2.3432	2.4091	1.7476		3.2653	2.6687
H6	2.3664	1.3306	3.0934	2.6687	3.2653		3.3470
H7	2.3664	3.0934	1.3306	3.2653	2.6687	3.3470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.719	C1	S3	H7	96.719
S2	C1	S3	116.182	S2	C1	H4	110.541
S2	C1	H5	105.704	S3	C1	H4	105.704
S3	C1	H5	110.541	H4	C1	H5	107.979

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CID/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: CID/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)