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	hartrees
Energy at 0K	-835.621656
Energy at 298.15K
HF Energy	-835.204092
Nuclear repulsion energy	141.380961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3125	2951	9.81
2	A	2723	2572	6.72
3	A	1511	1427	1.99
4	A	1258	1188	1.39
5	A	942	889	4.84
6	A	668	630	3.27
7	A	313	296	19.45
8	A	250	236	4.99
9	B	3182	3005	1.76
10	B	2723	2571	16.59
11	B	1335	1261	20.89
12	B	1052	994	30.05
13	B	804	759	18.28
14	B	747	706	0.79
15	B	263	248	41.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.547	-0.180
S3	0.000	-1.547	-0.180
H4	0.880	-0.052	1.426
H5	-0.880	0.052	1.426
H6	1.115	1.277	-0.886
H7	-1.115	-1.277	-0.886

	C1	S2	S3	H4	H5	H6	H7
C1		1.8207	1.8207	1.0932	1.0932	2.3771	2.3771
S2	1.8207		3.0934	2.4314	2.3645	1.3469	3.1167
S3	1.8207	3.0934		2.3645	2.4314	3.1167	1.3469
H4	1.0932	2.4314	2.3645		1.7638	2.6772	3.2908
H5	1.0932	2.3645	2.4314	1.7638		3.2908	2.6772
H6	2.3771	1.3469	3.1167	2.6772	3.2908		3.3904
H7	2.3771	3.1167	1.3469	3.2908	2.6772	3.3904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.099	C1	S3	H7	96.099
S2	C1	S3	116.312	S2	C1	H4	110.612
S2	C1	H5	105.754	S3	C1	H4	105.754
S3	C1	H5	110.612	H4	C1	H5	107.555

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)