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	hartrees
Energy at 0K	-835.797657
Energy at 298.15K
HF Energy	-835.230623
Nuclear repulsion energy	141.578142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3118	3118
2	A	2728	2728
3	A	1474	1474
4	A	1213	1213
5	A	913	913
6	A	649	649
7	A	301	301
8	A	227	227
9	B	3180	3180
10	B	2727	2727
11	B	1274	1274
12	B	1014	1014
13	B	783	783
14	B	719	719
15	B	248	248

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
S2	0.000	1.543	-0.181
S3	0.000	-1.543	-0.181
H4	0.882	-0.053	1.427
H5	-0.882	0.053	1.427
H6	1.096	1.258	-0.900
H7	-1.096	-1.258	-0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8216	1.8216	1.0910	1.0910	2.3729	2.3729
S2	1.8216		3.0859	2.4309	2.3629	1.3417	3.0922
S3	1.8216	3.0859		2.3629	2.4309	3.0922	1.3417
H4	1.0910	2.4309	2.3629		1.7679	2.6792	3.2833
H5	1.0910	2.3629	2.4309	1.7679		3.2833	2.6792
H6	2.3729	1.3417	3.0922	2.6792	3.2833		3.3361
H7	2.3729	3.0922	1.3417	3.2833	2.6792	3.3361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.021	C1	S3	H7	96.021
S2	C1	S3	115.784	S2	C1	H4	110.643
S2	C1	H5	105.694	S3	C1	H4	105.694
S3	C1	H5	110.643	H4	C1	H5	108.238

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/6-31G(2df,p)

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)/6-31G(2df,p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)