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	hartrees
Energy at 0K	-831.631842
Energy at 298.15K
HF Energy	-831.297513
Nuclear repulsion energy	141.425263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	2941	7.26
2	A	2810	2615	2.61
3	A	1573	1464	4.23
4	A	1299	1209	1.09
5	A	975	907	5.39
6	A	657	611	3.48
7	A	310	288	19.96
8	A	256	238	7.56
9	B	3211	2988	0.53
10	B	2808	2613	5.91
11	B	1364	1269	12.16
12	B	1088	1013	27.38
13	B	781	727	7.59
14	B	771	717	12.39
15	B	264	245	45.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
S2	0.000	1.544	-0.183
S3	0.000	-1.544	-0.183
H4	0.880	-0.048	1.432
H5	-0.880	0.048	1.432
H6	1.105	1.276	-0.885
H7	-1.105	-1.276	-0.885

	C1	S2	S3	H4	H5	H6	H7
C1		1.8257	1.8257	1.0891	1.0891	2.3791	2.3791
S2	1.8257		3.0878	2.4318	2.3706	1.3361	3.1092
S3	1.8257	3.0878		2.3706	2.4318	3.1092	1.3361
H4	1.0891	2.4318	2.3706		1.7621	2.6779	3.2886
H5	1.0891	2.3706	2.4318	1.7621		3.2886	2.6779
H6	2.3791	1.3361	3.1092	2.6779	3.2886		3.3760
H7	2.3791	3.1092	1.3361	3.2886	2.6779	3.3760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.380	C1	S3	H7	96.380
S2	C1	S3	115.488	S2	C1	H4	110.532
S2	C1	H5	106.065	S3	C1	H4	106.065
S3	C1	H5	110.532	H4	C1	H5	107.994

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CID/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: CID/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)