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	hartrees
Energy at 0K	-835.787109
Energy at 298.15K
HF Energy	-835.260723
Nuclear repulsion energy	140.386976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3074	3074
2	A	2706	2706
3	A	1433	1433
4	A	1193	1193
5	A	893	893
6	A	632	632
7	A	289	289
8	A	213	213
9	B	3139	3139
10	B	2706	2706
11	B	1239	1239
12	B	991	991
13	B	760	760
14	B	701	701
15	B	230	230

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.795
S2	0.000	1.556	-0.183
S3	0.000	-1.556	-0.183
H4	0.892	-0.054	1.438
H5	-0.892	0.054	1.438
H6	1.110	1.264	-0.900
H7	-1.110	-1.264	-0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8373	1.8373	1.1012	1.1012	2.3881	2.3881
S2	1.8373		3.1117	2.4519	2.3830	1.3537	3.1145
S3	1.8373	3.1117		2.3830	2.4519	3.1145	1.3537
H4	1.1012	2.4519	2.3830		1.7876	2.6927	3.3077
H5	1.1012	2.3830	2.4519	1.7876		3.3077	2.6927
H6	2.3881	1.3537	3.1145	2.6927	3.3077		3.3647
H7	2.3881	3.1145	1.3537	3.3077	2.6927	3.3647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.711	C1	S3	H7	95.711
S2	C1	S3	115.738	S2	C1	H4	110.602
S2	C1	H5	105.632	S3	C1	H4	105.632
S3	C1	H5	110.602	H4	C1	H5	108.519

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4=FULL/daug-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: MP4=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)