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	hartrees
Energy at 0K	-28.075943
Energy at 298.15K
HF Energy	-27.683127
Nuclear repulsion energy	38.874346

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	244	232	3.50	7.75	0.53	0.70
2	A	316	301	20.97	5.99	0.64	0.78
3	A	664	632	4.56	14.04	0.15	0.26
4	A	921	878	5.45	6.68	0.38	0.55
5	A	1231	1173	1.02	16.51	0.66	0.80
6	A	1491	1420	1.31	12.03	0.75	0.86
7	A	2717	2589	0.63	128.31	0.14	0.24
8	A	3116	2969	12.04	99.06	0.09	0.17
9	B	268	256	48.49	0.59	0.75	0.86
10	B	733	699	1.09	1.76	0.75	0.86
11	B	799	761	26.21	9.14	0.75	0.86
12	B	1033	985	25.18	5.25	0.75	0.86
13	B	1313	1251	31.61	2.13	0.75	0.86
14	B	2716	2588	2.76	85.72	0.75	0.86
15	B	3190	3039	2.33	65.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
S2	0.000	1.551	-0.181
S3	0.000	-1.551	-0.181
H4	0.884	-0.054	1.427
H5	-0.884	0.054	1.427
H6	1.118	1.271	-0.887
H7	-1.118	-1.271	-0.887

	C1	S2	S3	H4	H5	H6	H7
C1		1.8291	1.8291	1.0927	1.0927	2.3809	2.3809
S2	1.8291		3.1024	2.4387	2.3688	1.3510	3.1163
S3	1.8291	3.1024		2.3688	2.4387	3.1163	1.3510
H4	1.0927	2.4387	2.3688		1.7719	2.6768	3.2929
H5	1.0927	2.3688	2.4387	1.7719		3.2929	2.6768
H6	2.3809	1.3510	3.1163	2.6768	3.2929		3.3851
H7	2.3809	3.1163	1.3510	3.2929	2.6768	3.3851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.781	C1	S3	H7	95.781
S2	C1	S3	116.007	S2	C1	H4	110.618
S2	C1	H5	105.553	S3	C1	H4	105.553
S3	C1	H5	110.618	H4	C1	H5	108.353

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)