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	hartrees
Energy at 0K	-835.903456
Energy at 298.15K
HF Energy	-835.299150
Nuclear repulsion energy	141.562449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3085	3008
2	A	2704	2636
3	A	1458	1421
4	A	1203	1172
5	A	906	883
6	A	643	627
7	A	295	287
8	A	216	210
9	B	3143	3064
10	B	2704	2635
11	B	1260	1228
12	B	1004	979
13	B	775	756
14	B	714	696
15	B	238	232

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
S2	0.000	1.544	-0.180
S3	0.000	-1.544	-0.180
H4	0.881	-0.054	1.424
H5	-0.881	0.054	1.424
H6	1.092	1.253	-0.904
H7	-1.092	-1.253	-0.904

	C1	S2	S3	H4	H5	H6	H7
C1		1.8218	1.8218	1.0887	1.0887	2.3709	2.3709
S2	1.8218		3.0887	2.4295	2.3601	1.3419	3.0893
S3	1.8218	3.0887		2.3601	2.4295	3.0893	1.3419
H4	1.0887	2.4295	2.3601		1.7650	2.6784	3.2788
H5	1.0887	2.3601	2.4295	1.7650		3.2788	2.6784
H6	2.3709	1.3419	3.0893	2.6784	3.2788		3.3242
H7	2.3709	3.0893	1.3419	3.2788	2.6784	3.3242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.886	C1	S3	H7	95.886
S2	C1	S3	115.927	S2	C1	H4	110.642
S2	C1	H5	105.588	S3	C1	H4	105.588
S3	C1	H5	110.642	H4	C1	H5	108.313

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)