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	hartrees
Energy at 0K	-835.768942
Energy at 298.15K
HF Energy	-835.260528
Nuclear repulsion energy	140.147187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3068	3068
2	A	2683	2683
3	A	1433	1433
4	A	1194	1194
5	A	892	892
6	A	631	631
7	A	289	289
8	A	215	215
9	B	3131	3131
10	B	2682	2682
11	B	1241	1241
12	B	994	994
13	B	757	757
14	B	705	705
15	B	230	230

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.795
S2	0.000	1.559	-0.183
S3	0.000	-1.559	-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		1.8402	1.8402	1.1020	1.1020	2.3933	2.3933
S2	1.8402		3.1171	2.4545	2.3865	1.3566	3.1260
S3	1.8402	3.1171		2.3865	2.4545	3.1260	1.3566
H4	1.1020	2.4545	2.3865		1.7892	2.6937	3.3139
H5	1.1020	2.3865	2.4545	1.7892		3.3139	2.6937
H6	2.3933	1.3566	3.1260	2.6937	3.3139		3.3877
H7	2.3933	3.1260	1.3566	3.3139	2.6937	3.3877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.765	C1	S3	H7	95.765
S2	C1	S3	115.767	S2	C1	H4	110.551
S2	C1	H5	105.660	S3	C1	H4	105.660
S3	C1	H5	110.551	H4	C1	H5	108.534

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)