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	hartrees
Energy at 0K	-835.784637
Energy at 298.15K
HF Energy	-835.259962
Nuclear repulsion energy	140.406968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3075	2983
2	A	2692	2612
3	A	1433	1390
4	A	1189	1153
5	A	894	868
6	A	632	613
7	A	291	282
8	A	221	214
9	B	3139	3045
10	B	2691	2611
11	B	1245	1207
12	B	992	963
13	B	758	736
14	B	707	686
15	B	226	219

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.797
S2	0.000	1.555	-0.183
S3	0.000	-1.555	-0.183
H4	0.893	-0.053	1.440
H5	-0.893	0.053	1.440
H6	1.104	1.256	-0.910
H7	-1.104	-1.256	-0.910

	C1	S2	S3	H4	H5	H6	H7
C1		1.8376	1.8376	1.1013	1.1013	2.3898	2.3898
S2	1.8376		3.1091	2.4523	2.3843	1.3551	3.1059
S3	1.8376	3.1091		2.3843	2.4523	3.1059	1.3551
H4	1.1013	2.4523	2.3843		1.7886	2.6984	3.3100
H5	1.1013	2.3843	2.4523	1.7886		3.3100	2.6984
H6	2.3898	1.3551	3.1059	2.6984	3.3100		3.3439
H7	2.3898	3.1059	1.3551	3.3100	2.6984	3.3439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.737	C1	S3	H7	95.737
S2	C1	S3	115.546	S2	C1	H4	110.600
S2	C1	H5	105.700	S3	C1	H4	105.700
S3	C1	H5	110.600	H4	C1	H5	108.591

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)