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	hartrees
Energy at 0K	-835.920006
Energy at 298.15K
HF Energy	-835.300935
Nuclear repulsion energy	141.590867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3082	3082
2	A	2697	2697
3	A	1461	1461
4	A	1204	1204
5	A	906	906
6	A	643	643
7	A	293	293
8	A	210	210
9	B	3139	3139
10	B	2697	2697
11	B	1258	1258
12	B	1006	1006
13	B	772	772
14	B	715	715
15	B	233	233

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
S2	0.000	1.542	-0.181
S3	0.000	-1.542	-0.181
H4	0.883	-0.052	1.425
H5	-0.883	0.052	1.425
H6	1.098	1.254	-0.898
H7	-1.098	-1.254	-0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8220	1.8220	1.0893	1.0893	2.3719	2.3719
S2	1.8220		3.0847	2.4290	2.3623	1.3434	3.0885
S3	1.8220	3.0847		2.3623	2.4290	3.0885	1.3434
H4	1.0893	2.4290	2.3623		1.7689	2.6738	3.2815
H5	1.0893	2.3623	2.4290	1.7689		3.2815	2.6738
H6	2.3719	1.3434	3.0885	2.6738	3.2815		3.3334
H7	2.3719	3.0885	1.3434	3.2815	2.6738	3.3334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.881	C1	S3	H7	95.881
S2	C1	S3	115.666	S2	C1	H4	110.551
S2	C1	H5	105.697	S3	C1	H4	105.697
S3	C1	H5	110.551	H4	C1	H5	108.568

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)/daug-cc-pVTZ

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)/daug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)