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	hartrees
Energy at 0K	-835.895488
Energy at 298.15K
HF Energy	-835.289959
Nuclear repulsion energy	141.888740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3087	3087
2	A	2716	2716
3	A	1455	1455
4	A	1203	1203
5	A	909	909
6	A	643	643
7	A	295	295
8	A	213	213
9	B	3145	3145
10	B	2715	2715
11	B	1262	1262
12	B	1007	1007
13	B	775	775
14	B	713	713
15	B	235	235

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
S2	0.000	1.541	-0.180
S3	0.000	-1.541	-0.180
H4	0.880	-0.055	1.422
H5	-0.880	0.055	1.422
H6	1.089	1.252	-0.902
H7	-1.089	-1.252	-0.902

	C1	S2	S3	H4	H5	H6	H7
C1		1.8173	1.8173	1.0885	1.0885	2.3658	2.3658
S2	1.8173		3.0810	2.4259	2.3557	1.3383	3.0828
S3	1.8173	3.0810		2.3557	2.4259	3.0828	1.3383
H4	1.0885	2.4259	2.3557		1.7639	2.6747	3.2732
H5	1.0885	2.3557	2.4259	1.7639		3.2732	2.6747
H6	2.3658	1.3383	3.0828	2.6747	3.2732		3.3175
H7	2.3658	3.0828	1.3383	3.2732	2.6747	3.3175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.942	C1	S3	H7	95.942
S2	C1	S3	115.925	S2	C1	H4	110.693
S2	C1	H5	105.570	S3	C1	H4	105.570
S3	C1	H5	110.693	H4	C1	H5	108.245

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)