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	hartrees
Energy at 0K	-835.920881
Energy at 298.15K
HF Energy	-835.299334
Nuclear repulsion energy	142.761352

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	225	213	3.45	7.37	0.66	0.79
2	A	304	289	10.03	6.01	0.60	0.75
3	A	661	627	2.94	12.01	0.11	0.21
4	A	921	874	4.39	5.23	0.29	0.45
5	A	1219	1157	0.48	6.93	0.64	0.78
6	A	1476	1401	1.02	9.73	0.73	0.85
7	A	2767	2627	0.05	120.52	0.08	0.15
8	A	3135	2976	5.60	102.75	0.06	0.12
9	B	249	236	36.92	1.07	0.75	0.86
10	B	725	688	0.63	0.62	0.75	0.86
11	B	802	762	18.18	6.09	0.75	0.86
12	B	1012	961	17.11	2.19	0.75	0.86
13	B	1269	1204	21.50	0.29	0.75	0.86
14	B	2767	2627	0.02	65.96	0.75	0.86
15	B	3178	3017	1.12	56.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
S2	0.000	1.530	-0.179
S3	0.000	-1.530	-0.179
H4	0.875	-0.055	1.417
H5	-0.875	0.055	1.417
H6	1.077	1.228	-0.905
H7	-1.077	-1.228	-0.905

	C1	S2	S3	H4	H5	H6	H7
C1		1.8065	1.8065	1.0825	1.0825	2.3481	2.3481
S2	1.8065		3.0603	2.4130	2.3425	1.3337	3.0492
S3	1.8065	3.0603		2.3425	2.4130	3.0492	1.3337
H4	1.0825	2.4130	2.3425		1.7535	2.6603	3.2524
H5	1.0825	2.3425	2.4130	1.7535		3.2524	2.6603
H6	2.3481	1.3337	3.0492	2.6603	3.2524		3.2676
H7	2.3481	3.0492	1.3337	3.2524	2.6603	3.2676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.614	C1	S3	H7	95.614
S2	C1	S3	115.779	S2	C1	H4	110.776
S2	C1	H5	105.599	S3	C1	H4	105.599
S3	C1	H5	110.776	H4	C1	H5	108.168

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)