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	hartrees
Energy at 0K	-835.713867
Energy at 298.15K
HF Energy	-835.251892
Nuclear repulsion energy	140.598821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3103	2977	13.33
2	A	2734	2623	2.74
3	A	1457	1398	0.35
4	A	1209	1159	0.66
5	A	911	874	3.59
6	A	646	619	2.79
7	A	300	288	13.23
8	A	232	222	5.28
9	B	3166	3037	2.26
10	B	2734	2623	5.57
11	B	1269	1217	25.89
12	B	1016	975	17.51
13	B	785	753	20.38
14	B	718	689	0.69
15	B	260	250	37.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.555	-0.181
S3	0.000	-1.555	-0.181
H4	0.890	-0.056	1.435
H5	-0.890	0.056	1.435
H6	1.116	1.273	-0.891
H7	-1.116	-1.273	-0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8314	1.8314	1.1026	1.1026	2.3823	2.3823
S2	1.8314		3.1110	2.4491	2.3774	1.3521	3.1223
S3	1.8314	3.1110		2.3774	2.4491	3.1223	1.3521
H4	1.1026	2.4491	2.3774		1.7826	2.6877	3.3032
H5	1.1026	2.3774	2.4491	1.7826		3.3032	2.6877
H6	2.3823	1.3521	3.1223	2.6877	3.3032		3.3857
H7	2.3823	3.1223	1.3521	3.3032	2.6877	3.3857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.712	C1	S3	H7	95.712
S2	C1	S3	116.278	S2	C1	H4	110.708
S2	C1	H5	105.541	S3	C1	H4	105.541
S3	C1	H5	110.708	H4	C1	H5	107.867

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)