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	hartrees
Energy at 0K	-835.662501
Energy at 298.15K
HF Energy	-835.217366
Nuclear repulsion energy	141.787368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	2979	9.65
2	A	2790	2629	2.70
3	A	1493	1407	0.92
4	A	1252	1180	1.11
5	A	953	898	6.08
6	A	671	633	2.97
7	A	322	303	16.47
8	A	253	238	2.40
9	B	3223	3037	1.40
10	B	2789	2628	7.16
11	B	1341	1263	24.99
12	B	1061	999	34.45
13	B	810	764	16.53
14	B	756	713	0.74
15	B	274	258	40.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.544	-0.180
S3	0.000	-1.544	-0.180
H4	0.876	-0.055	1.424
H5	-0.876	0.055	1.424
H6	1.098	1.269	-0.886
H7	-1.098	-1.269	-0.886

	C1	S2	S3	H4	H5	H6	H7
C1		1.8179	1.8179	1.0878	1.0878	2.3649	2.3649
S2	1.8179		3.0871	2.4277	2.3565	1.3342	3.1008
S3	1.8179	3.0871		2.3565	2.4277	3.1008	1.3342
H4	1.0878	2.4277	2.3565		1.7545	2.6713	3.2715
H5	1.0878	2.3565	2.4277	1.7545		3.2715	2.6713
H6	2.3649	1.3342	3.1008	2.6713	3.2715		3.3567
H7	2.3649	3.1008	1.3342	3.2715	2.6713	3.3567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.008	C1	S3	H7	96.008
S2	C1	S3	116.227	S2	C1	H4	110.820
S2	C1	H5	105.621	S3	C1	H4	105.621
S3	C1	H5	110.820	H4	C1	H5	107.501

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)