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	hartrees
Energy at 0K	-836.238783
Energy at 298.15K
HF Energy	-835.289940
Nuclear repulsion energy	142.235782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3090	3090
2	A	2696	2696
3	A	1470	1470
4	A	1214	1214
5	A	918	918
6	A	651	651
7	A	296	296
8	A	220	220
9	B	3145	3145
10	B	2696	2696
11	B	1271	1271
12	B	1015	1015
13	B	786	786
14	B	719	719
15	B	238	238

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.536	-0.179
S3	0.000	-1.536	-0.179
H4	0.879	-0.054	1.419
H5	-0.879	0.054	1.419
H6	1.099	1.257	-0.892
H7	-1.099	-1.257	-0.892

	C1	S2	S3	H4	H5	H6	H7
C1		1.8109	1.8109	1.0883	1.0883	2.3631	2.3631
S2	1.8109		3.0720	2.4197	2.3504	1.3397	3.0849
S3	1.8109	3.0720		2.3504	2.4197	3.0849	1.3397
H4	1.0883	2.4197	2.3504		1.7620	2.6660	3.2717
H5	1.0883	2.3504	2.4197	1.7620		3.2717	2.6660
H6	2.3631	1.3397	3.0849	2.6660	3.2717		3.3395
H7	2.3631	3.0849	1.3397	3.2717	2.6660	3.3395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.034	C1	S3	H7	96.034
S2	C1	S3	116.033	S2	C1	H4	110.662
S2	C1	H5	105.611	S3	C1	H4	105.611
S3	C1	H5	110.662	H4	C1	H5	108.095

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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(T)=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)