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	hartrees
Energy at 0K	-835.891906
Energy at 298.15K
HF Energy	-835.301281
Nuclear repulsion energy	141.977633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3135	3135	4.85
2	A	2744	2744	0.00
3	A	1483	1483	1.04
4	A	1224	1224	0.43
5	A	923	923	3.80
6	A	657	657	2.98
7	A	297	297	7.49
8	A	218	218	3.65
9	B	3192	3192	1.27
10	B	2743	2743	0.03
11	B	1281	1281	21.50
12	B	1023	1023	16.41
13	B	793	793	17.56
14	B	728	728	0.60
15	B	234	234	31.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
S2	0.000	1.539	-0.180
S3	0.000	-1.539	-0.180
H4	0.879	-0.051	1.420
H5	-0.879	0.051	1.420
H6	1.092	1.256	-0.901
H7	-1.092	-1.256	-0.901

	C1	S2	S3	H4	H5	H6	H7
C1		1.8166	1.8166	1.0851	1.0851	2.3698	2.3698
S2	1.8166		3.0778	2.4203	2.3550	1.3388	3.0865
S3	1.8166	3.0778		2.3550	2.4203	3.0865	1.3388
H4	1.0851	2.4203	2.3550		1.7609	2.6723	3.2750
H5	1.0851	2.3550	2.4203	1.7609		3.2750	2.6723
H6	2.3698	1.3388	3.0865	2.6723	3.2750		3.3290
H7	2.3698	3.0865	1.3388	3.2750	2.6723	3.3290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.180	C1	S3	H7	96.180
S2	C1	S3	115.802	S2	C1	H4	110.495
S2	C1	H5	105.729	S3	C1	H4	105.729
S3	C1	H5	110.495	H4	C1	H5	108.462

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3/daug-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: MP3/daug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)