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	hartrees
Energy at 0K	-835.765990
Energy at 298.15K
HF Energy	-835.260317
Nuclear repulsion energy	140.736696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3098	3098	8.57
2	A	2716	2716	0.33
3	A	1449	1449	0.41
4	A	1205	1205	0.52
5	A	907	907	3.94
6	A	645	645	3.05
7	A	293	293	7.70
8	A	226	226	3.45
9	B	3160	3160	1.76
10	B	2716	2716	1.32
11	B	1264	1264	24.74
12	B	1006	1006	16.51
13	B	779	779	19.36
14	B	717	717	0.49
15	B	229	229	32.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.793
S2	0.000	1.551	-0.182
S3	0.000	-1.551	-0.182
H4	0.890	-0.052	1.436
H5	-0.890	0.052	1.436
H6	1.103	1.263	-0.910
H7	-1.103	-1.263	-0.910

	C1	S2	S3	H4	H5	H6	H7
C1		1.8320	1.8320	1.0994	1.0994	2.3895	2.3895
S2	1.8320		3.1025	2.4453	2.3786	1.3525	3.1088
S3	1.8320	3.1025		2.3786	2.4453	3.1088	1.3525
H4	1.0994	2.4453	2.3786		1.7830	2.6977	3.3076
H5	1.0994	2.3786	2.4453	1.7830		3.3076	2.6977
H6	2.3895	1.3525	3.1088	2.6977	3.3076		3.3527
H7	2.3895	3.1088	1.3525	3.3076	2.6977	3.3527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.072	C1	S3	H7	96.072
S2	C1	S3	115.726	S2	C1	H4	110.565
S2	C1	H5	105.741	S3	C1	H4	105.741
S3	C1	H5	110.565	H4	C1	H5	108.370

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)