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	hartrees
Energy at 0K	-836.163405
Energy at 298.15K
HF Energy	-835.290107
Nuclear repulsion energy	142.918863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	221	221	3.69	6.87	0.65	0.79
2	A	304	304	9.44	5.07	0.56	0.72
3	A	659	659	2.97	10.64	0.13	0.23
4	A	920	920	4.31	5.24	0.21	0.35
5	A	1216	1216	0.59	6.76	0.56	0.72
6	A	1463	1463	1.04	11.46	0.72	0.84
7	A	2783	2783	0.12	122.01	0.08	0.14
8	A	3117	3117	5.75	106.11	0.06	0.12
9	B	244	244	36.74	0.79	0.75	0.86
10	B	725	725	0.63	0.38	0.75	0.86
11	B	799	799	17.44	6.87	0.75	0.86
12	B	1011	1011	17.82	2.09	0.75	0.86
13	B	1268	1268	20.83	0.26	0.75	0.86
14	B	2782	2782	0.09	63.27	0.75	0.86
15	B	3179	3179	1.21	57.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
S2	0.000	1.528	-0.178
S3	0.000	-1.528	-0.178
H4	0.876	-0.056	1.418
H5	-0.876	0.056	1.418
H6	1.074	1.228	-0.905
H7	-1.074	-1.228	-0.905

	C1	S2	S3	H4	H5	H6	H7
C1		1.8042	1.8042	1.0846	1.0846	2.3459	2.3459
S2	1.8042		3.0563	2.4131	2.3415	1.3311	3.0458
S3	1.8042	3.0563		2.3415	2.4131	3.0458	1.3311
H4	1.0846	2.4131	2.3415		1.7558	2.6613	3.2514
H5	1.0846	2.3415	2.4131	1.7558		3.2514	2.6613
H6	2.3459	1.3311	3.0458	2.6613	3.2514		3.2621
H7	2.3459	3.0458	1.3311	3.2514	2.6613	3.2621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.694	C1	S3	H7	95.694
S2	C1	S3	115.778	S2	C1	H4	110.832
S2	C1	H5	105.583	S3	C1	H4	105.583
S3	C1	H5	110.832	H4	C1	H5	108.083

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2=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: MP2=FULL/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)