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	hartrees
Energy at 0K	-831.318598
Energy at 298.15K
HF Energy	-831.074069
Nuclear repulsion energy	136.504581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3171	4.70
2	A	2436	2436	9.68
3	A	1532	1532	2.70
4	A	1231	1231	1.13
5	A	887	887	5.16
6	A	585	585	5.29
7	A	281	281	29.77
8	A	241	241	6.30
9	B	3239	3239	0.08
10	B	2435	2435	31.97
11	B	1299	1299	19.92
12	B	1006	1006	28.84
13	B	723	723	0.49
14	B	702	702	26.59
15	B	240	240	52.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.831
S2	0.000	1.604	-0.191
S3	0.000	-1.604	-0.191
H4	0.890	-0.050	1.454
H5	-0.890	0.050	1.454
H6	1.155	1.334	-0.889
H7	-1.155	-1.334	-0.889

	C1	S2	S3	H4	H5	H6	H7
C1		1.9020	1.9020	1.0878	1.0878	2.4645	2.4645
S2	1.9020		3.2074	2.4972	2.4317	1.3761	3.2329
S3	1.9020	3.2074		2.4317	2.4972	3.2329	1.3761
H4	1.0878	2.4972	2.4317		1.7836	2.7345	3.3649
H5	1.0878	2.4317	2.4972	1.7836		3.3649	2.7345
H6	2.4645	1.3761	3.2329	2.7345	3.3649		3.5292
H7	2.4645	3.2329	1.3761	3.3649	2.7345	3.5292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.168	C1	S3	H7	96.168
S2	C1	S3	114.952	S2	C1	H4	110.294
S2	C1	H5	105.594	S3	C1	H4	105.594
S3	C1	H5	110.294	H4	C1	H5	110.143

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)