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	hartrees
Energy at 0K	-835.847001
Energy at 298.15K
HF Energy	-835.300931
Nuclear repulsion energy	142.358653

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	220	210	3.09	3.75	0.36	0.53
2	A	300	286	7.53	0.91	0.16	0.28
3	A	657	626	2.96	14.09	0.13	0.23
4	A	914	871	4.21	8.58	0.08	0.14
5	A	1215	1157	0.55	3.05	0.70	0.83
6	A	1470	1401	0.96	8.08	0.61	0.76
7	A	2757	2627	0.29	143.26	0.05	0.10
8	A	3111	2965	4.39	107.09	0.06	0.11
9	B	239	228	33.45	0.19	0.75	0.86
10	B	726	691	0.77	0.49	0.75	0.86
11	B	793	756	18.84	5.31	0.75	0.86
12	B	1009	961	16.24	0.87	0.75	0.86
13	B	1266	1206	21.95	0.05	0.75	0.86
14	B	2756	2627	0.28	47.29	0.75	0.86
15	B	3175	3025	1.68	53.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
S2	0.000	1.533	-0.180
S3	0.000	-1.533	-0.180
H4	0.880	-0.053	1.422
H5	-0.880	0.053	1.422
H6	1.084	1.233	-0.905
H7	-1.084	-1.233	-0.905

	C1	S2	S3	H4	H5	H6	H7
C1		1.8120	1.8120	1.0874	1.0874	2.3574	2.3574
S2	1.8120		3.0661	2.4204	2.3519	1.3381	3.0585
S3	1.8120	3.0661		2.3519	2.4204	3.0585	1.3381
H4	1.0874	2.4204	2.3519		1.7638	2.6676	3.2663
H5	1.0874	2.3519	2.4204	1.7638		3.2663	2.6676
H6	2.3574	1.3381	3.0585	2.6676	3.2663		3.2837
H7	2.3574	3.0585	1.3381	3.2663	2.6676	3.2837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.724	C1	S3	H7	95.724
S2	C1	S3	115.569	S2	C1	H4	110.692
S2	C1	H5	105.690	S3	C1	H4	105.690
S3	C1	H5	110.692	H4	C1	H5	108.389

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)