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	hartrees
Energy at 0K	-835.866438
Energy at 298.15K
HF Energy	-835.290221
Nuclear repulsion energy	142.231317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3117	7.51
2	A	2749	2749	0.12
3	A	1476	1476	0.94
4	A	1225	1225	0.50
5	A	924	924	3.73
6	A	658	658	2.80
7	A	298	298	9.21
8	A	221	221	4.65
9	B	3175	3175	1.26
10	B	2749	2749	0.39
11	B	1286	1286	20.13
12	B	1025	1025	17.84
13	B	800	800	14.97
14	B	725	725	0.40
15	B	240	240	33.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.537	-0.179
S3	0.000	-1.537	-0.179
H4	0.877	-0.053	1.418
H5	-0.877	0.053	1.418
H6	1.090	1.260	-0.898
H7	-1.090	-1.260	-0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8117	1.8117	1.0862	1.0862	2.3649	2.3649
S2	1.8117		3.0744	2.4185	2.3502	1.3351	3.0874
S3	1.8117	3.0744		2.3502	2.4185	3.0874	1.3351
H4	1.0862	2.4185	2.3502		1.7575	2.6715	3.2702
H5	1.0862	2.3502	2.4185	1.7575		3.2702	2.6715
H6	2.3649	1.3351	3.0874	2.6715	3.2702		3.3326
H7	2.3649	3.0874	1.3351	3.2702	2.6715	3.3326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.267	C1	S3	H7	96.267
S2	C1	S3	116.096	S2	C1	H4	110.637
S2	C1	H5	105.648	S3	C1	H4	105.648
S3	C1	H5	110.637	H4	C1	H5	107.995

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)