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	hartrees
Energy at 0K	-835.659246
Energy at 298.15K
HF Energy	-835.203904
Nuclear repulsion energy	141.237377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3103	3103
2	A	2701	2701
3	A	1500	1500
4	A	1247	1247
5	A	933	933
6	A	658	658
7	A	312	312
8	A	247	247
9	B	3161	3161
10	B	2700	2700
11	B	1322	1322
12	B	1042	1042
13	B	789	789
14	B	739	739
15	B	262	262

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
S2	0.000	1.548	-0.180
S3	0.000	-1.548	-0.180
H4	0.882	-0.053	1.428
H5	-0.882	0.053	1.428
H6	1.116	1.275	-0.887
H7	-1.116	-1.275	-0.887

	C1	S2	S3	H4	H5	H6	H7
C1		1.8228	1.8228	1.0946	1.0946	2.3786	2.3786
S2	1.8228		3.0959	2.4349	2.3667	1.3489	3.1167
S3	1.8228	3.0959		2.3667	2.4349	3.1167	1.3489
H4	1.0946	2.4349	2.3667		1.7667	2.6797	3.2935
H5	1.0946	2.3667	2.4349	1.7667		3.2935	2.6797
H6	2.3786	1.3489	3.1167	2.6797	3.2935		3.3889
H7	2.3786	3.1167	1.3489	3.2935	2.6797	3.3889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.018	C1	S3	H7	96.018
S2	C1	S3	116.253	S2	C1	H4	110.665
S2	C1	H5	105.711	S3	C1	H4	105.711
S3	C1	H5	110.665	H4	C1	H5	107.605

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)=FULL/6-31G*

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)=FULL/6-31G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)