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	hartrees
Energy at 0K	-835.887443
Energy at 298.15K
HF Energy	-835.301080
Nuclear repulsion energy	141.985549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3113	2979	5.62
2	A	2735	2617	0.00
3	A	1484	1420	1.00
4	A	1228	1175	0.44
5	A	923	883	3.73
6	A	659	630	2.79
7	A	296	283	7.49
8	A	221	212	3.84
9	B	3171	3034	1.21
10	B	2734	2616	0.10
11	B	1287	1232	21.08
12	B	1025	980	16.32
13	B	798	764	15.79
14	B	728	697	0.53
15	B	237	226	30.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.539	-0.180
S3	0.000	-1.539	-0.180
H4	0.879	-0.050	1.421
H5	-0.879	0.050	1.421
H6	1.096	1.260	-0.898
H7	-1.096	-1.260	-0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8158	1.8158	1.0868	1.0868	2.3704	2.3704
S2	1.8158		3.0770	2.4209	2.3561	1.3395	3.0897
S3	1.8158	3.0770		2.3561	2.4209	3.0897	1.3395
H4	1.0868	2.4209	2.3561		1.7616	2.6725	3.2776
H5	1.0868	2.3561	2.4209	1.7616		3.2776	2.6725
H6	2.3704	1.3395	3.0897	2.6725	3.2776		3.3390
H7	2.3704	3.0897	1.3395	3.2776	2.6725	3.3390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.227	C1	S3	H7	96.227
S2	C1	S3	115.840	S2	C1	H4	110.508
S2	C1	H5	105.777	S3	C1	H4	105.777
S3	C1	H5	110.508	H4	C1	H5	108.282

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)