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	hartrees
Energy at 0K	-835.748634
Energy at 298.15K
HF Energy	-835.260147
Nuclear repulsion energy	140.486703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3092	2995	8.75
2	A	2706	2621	0.36
3	A	1447	1402	0.35
4	A	1206	1168	0.55
5	A	904	876	3.82
6	A	642	622	3.09
7	A	294	285	7.67
8	A	225	218	3.53
9	B	3153	3054	1.79
10	B	2705	2621	1.44
11	B	1263	1224	25.73
12	B	1006	974	16.24
13	B	775	751	20.58
14	B	717	695	0.57
15	B	234	226	32.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.794
S2	0.000	1.554	-0.182
S3	0.000	-1.554	-0.182
H4	0.891	-0.052	1.437
H5	-0.891	0.052	1.437
H6	1.109	1.268	-0.905
H7	-1.109	-1.268	-0.905

	C1	S2	S3	H4	H5	H6	H7
C1		1.8353	1.8353	1.1005	1.1005	2.3922	2.3922
S2	1.8353		3.1087	2.4487	2.3822	1.3543	3.1173
S3	1.8353	3.1087		2.3822	2.4487	3.1173	1.3543
H4	1.1005	2.4487	2.3822		1.7854	2.6971	3.3114
H5	1.1005	2.3822	2.4487	1.7854		3.3114	2.6971
H6	2.3922	1.3543	3.1173	2.6971	3.3114		3.3688
H7	2.3922	3.1173	1.3543	3.3114	2.6971	3.3688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.007	C1	S3	H7	96.007
S2	C1	S3	115.755	S2	C1	H4	110.529
S2	C1	H5	105.734	S3	C1	H4	105.734
S3	C1	H5	110.529	H4	C1	H5	108.428

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)