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	hartrees
Energy at 0K	-835.768642
Energy at 298.15K
HF Energy	-835.260542
Nuclear repulsion energy	140.162873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3069	3069
2	A	2684	2684
3	A	1433	1433
4	A	1194	1194
5	A	892	892
6	A	632	632
7	A	289	289
8	A	215	215
9	B	3132	3132
10	B	2683	2683
11	B	1242	1242
12	B	994	994
13	B	757	757
14	B	706	706
15	B	230	230

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.795
S2	0.000	1.558	-0.183
S3	0.000	-1.558	-0.183
H4	0.893	-0.053	1.439
H5	-0.893	0.053	1.439
H6	1.118	1.272	-0.896
H7	-1.118	-1.272	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8399	1.8399	1.1020	1.1020	2.3932	2.3932
S2	1.8399		3.1168	2.4542	2.3863	1.3565	3.1257
S3	1.8399	3.1168		2.3863	2.4542	3.1257	1.3565
H4	1.1020	2.4542	2.3863		1.7889	2.6936	3.3138
H5	1.1020	2.3863	2.4542	1.7889		3.3138	2.6936
H6	2.3932	1.3565	3.1257	2.6936	3.3138		3.3873
H7	2.3932	3.1257	1.3565	3.3138	2.6936	3.3873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.771	C1	S3	H7	95.771
S2	C1	S3	115.771	S2	C1	H4	110.549
S2	C1	H5	105.665	S3	C1	H4	105.665
S3	C1	H5	110.549	H4	C1	H5	108.523

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/daug-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: CCSD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)