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	hartrees
Energy at 0K	-835.645906
Energy at 298.15K
HF Energy	-835.204126
Nuclear repulsion energy	141.510679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3125	2969	9.70
2	A	2723	2587	6.76
3	A	1511	1435	2.12
4	A	1259	1196	1.39
5	A	943	896	4.86
6	A	668	635	3.16
7	A	314	298	19.30
8	A	251	238	5.03
9	B	3183	3023	1.71
10	B	2723	2586	16.67
11	B	1335	1268	20.32
12	B	1053	1000	30.43
13	B	806	765	17.87
14	B	747	710	0.77
15	B	264	251	41.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
S2	0.000	1.545	-0.180
S3	0.000	-1.545	-0.180
H4	0.880	-0.052	1.425
H5	-0.880	0.052	1.425
H6	1.115	1.276	-0.886
H7	-1.115	-1.276	-0.886

	C1	S2	S3	H4	H5	H6	H7
C1		1.8186	1.8186	1.0929	1.0929	2.3757	2.3757
S2	1.8186		3.0903	2.4295	2.3622	1.3469	3.1146
S3	1.8186	3.0903		2.3622	2.4295	3.1146	1.3469
H4	1.0929	2.4295	2.3622		1.7629	2.6759	3.2892
H5	1.0929	2.3622	2.4295	1.7629		3.2892	2.6759
H6	2.3757	1.3469	3.1146	2.6759	3.2892		3.3894
H7	2.3757	3.1146	1.3469	3.2892	2.6759	3.3894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.123	C1	S3	H7	96.123
S2	C1	S3	116.340	S2	C1	H4	110.630
S2	C1	H5	105.740	S3	C1	H4	105.740
S3	C1	H5	110.630	H4	C1	H5	107.515

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)