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	hartrees
Energy at 0K	-835.659876
Energy at 298.15K
HF Energy	-835.215464
Nuclear repulsion energy	141.600559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	2973	11.61
2	A	2781	2618	4.73
3	A	1511	1423	0.90
4	A	1260	1187	1.41
5	A	949	894	4.31
6	A	667	628	3.03
7	A	312	294	17.08
8	A	247	232	4.66
9	B	3220	3031	2.56
10	B	2781	2618	12.05
11	B	1334	1256	24.27
12	B	1058	996	32.15
13	B	803	756	18.30
14	B	745	701	0.60
15	B	262	246	37.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
S2	0.000	1.547	-0.180
S3	0.000	-1.547	-0.180
H4	0.876	-0.052	1.422
H5	-0.876	0.052	1.422
H6	1.106	1.277	-0.877
H7	-1.106	-1.277	-0.877

	C1	S2	S3	H4	H5	H6	H7
C1		1.8200	1.8200	1.0879	1.0879	2.3653	2.3653
S2	1.8200		3.0935	2.4266	2.3599	1.3347	3.1113
S3	1.8200	3.0935		2.3599	2.4266	3.1113	1.3347
H4	1.0879	2.4266	2.3599		1.7555	2.6646	3.2730
H5	1.0879	2.3599	2.4266	1.7555		3.2730	2.6646
H6	2.3653	1.3347	3.1113	2.6646	3.2730		3.3781
H7	2.3653	3.1113	1.3347	3.2730	2.6646	3.3781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.919	C1	S3	H7	95.919
S2	C1	S3	116.393	S2	C1	H4	110.586
S2	C1	H5	105.724	S3	C1	H4	105.724
S3	C1	H5	110.586	H4	C1	H5	107.584

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)