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	hartrees
Energy at 0K	-835.634441
Energy at 298.15K
HF Energy	-835.203855
Nuclear repulsion energy	141.106215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3103	2977
2	A	2702	2592
3	A	1500	1439
4	A	1246	1195
5	A	932	894
6	A	657	630
7	A	312	299
8	A	247	237
9	B	3161	3032
10	B	2701	2591
11	B	1322	1268
12	B	1042	999
13	B	787	755
14	B	739	709
15	B	261	250

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
S2	0.000	1.550	-0.181
S3	0.000	-1.550	-0.181
H4	0.882	-0.053	1.430
H5	-0.882	0.053	1.430
H6	1.116	1.276	-0.888
H7	-1.116	-1.276	-0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8250	1.8250	1.0949	1.0949	2.3800	2.3800
S2	1.8250		3.0990	2.4368	2.3691	1.3489	3.1186
S3	1.8250	3.0990		2.3691	2.4368	3.1186	1.3489
H4	1.0949	2.4368	2.3691		1.7677	2.6810	3.2951
H5	1.0949	2.3691	2.4368	1.7677		3.2951	2.6810
H6	2.3800	1.3489	3.1186	2.6810	3.2951		3.3894
H7	2.3800	3.1186	1.3489	3.2951	2.6810	3.3894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.993	C1	S3	H7	95.993
S2	C1	S3	116.219	S2	C1	H4	110.643
S2	C1	H5	105.729	S3	C1	H4	105.729
S3	C1	H5	110.643	H4	C1	H5	107.654

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)