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	hartrees
Energy at 0K	-835.636959
Energy at 298.15K
HF Energy	-835.256887
Nuclear repulsion energy	141.961161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	2950	10.65
2	A	2728	2535	2.40
3	A	1521	1413	2.26
4	A	1286	1195	2.43
5	A	953	886	5.87
6	A	680	632	2.91
7	A	311	289	18.13
8	A	254	236	8.78
9	B	3231	3002	1.49
10	B	2727	2534	7.11
11	B	1359	1263	21.15
12	B	1073	997	37.82
13	B	824	766	23.44
14	B	746	694	0.92
15	B	265	246	42.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.770
S2	0.000	1.542	-0.179
S3	0.000	-1.542	-0.179
H4	0.874	-0.050	1.413
H5	-0.874	0.050	1.413
H6	1.131	1.304	-0.857
H7	-1.131	-1.304	-0.857

	C1	S2	S3	H4	H5	H6	H7
C1		1.8113	1.8113	1.0858	1.0858	2.3725	2.3725
S2	1.8113		3.0848	2.4158	2.3506	1.3399	3.1373
S3	1.8113	3.0848		2.3506	2.4158	3.1373	1.3399
H4	1.0858	2.4158	2.3506		1.7499	2.6562	3.2779
H5	1.0858	2.3506	2.4158	1.7499		3.2779	2.6562
H6	2.3725	1.3399	3.1373	2.6562	3.2779		3.4530
H7	2.3725	3.1373	1.3399	3.2779	2.6562	3.4530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.539	C1	S3	H7	96.539
S2	C1	S3	116.760	S2	C1	H4	110.484
S2	C1	H5	105.720	S3	C1	H4	105.720
S3	C1	H5	110.484	H4	C1	H5	107.385

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)