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	hartrees
Energy at 0K	-836.234334
Energy at 298.15K
HF Energy	-835.290060
Nuclear repulsion energy	142.144004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3082	3082
2	A	2734	2734
3	A	1454	1454
4	A	1206	1206
5	A	910	910
6	A	644	644
7	A	297	297
8	A	214	214
9	B	3141	3141
10	B	2734	2734
11	B	1262	1262
12	B	1006	1006
13	B	779	779
14	B	714	714
15	B	237	237

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
S2	0.000	1.538	-0.179
S3	0.000	-1.538	-0.179
H4	0.879	-0.055	1.421
H5	-0.879	0.055	1.421
H6	1.085	1.246	-0.901
H7	-1.085	-1.246	-0.901

	C1	S2	S3	H4	H5	H6	H7
C1		1.8142	1.8142	1.0869	1.0869	2.3595	2.3595
S2	1.8142		3.0756	2.4227	2.3516	1.3355	3.0739
S3	1.8142	3.0756		2.3516	2.4227	3.0739	1.3355
H4	1.0869	2.4227	2.3516		1.7607	2.6695	3.2657
H5	1.0869	2.3516	2.4227	1.7607		3.2657	2.6695
H6	2.3595	1.3355	3.0739	2.6695	3.2657		3.3048
H7	2.3595	3.0739	1.3355	3.2657	2.6695	3.3048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.831	C1	S3	H7	95.831
S2	C1	S3	115.915	S2	C1	H4	110.742
S2	C1	H5	105.552	S3	C1	H4	105.552
S3	C1	H5	110.742	H4	C1	H5	108.190

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4=FULL/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: MP4=FULL/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)