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	hartrees
Energy at 0K	-835.328904
Energy at 298.15K
HF Energy	-835.112065
Nuclear repulsion energy	136.897574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	2974	7.75
2	A	2531	2374	14.94
3	A	1522	1427	2.16
4	A	1243	1166	1.31
5	A	891	835	5.44
6	A	610	572	5.46
7	A	289	271	29.28
8	A	240	225	8.49
9	B	3243	3042	0.56
10	B	2528	2371	47.88
11	B	1326	1243	22.95
12	B	1019	956	32.54
13	B	733	688	1.14
14	B	728	683	27.63
15	B	233	219	54.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.816
S2	0.000	1.602	-0.187
S3	0.000	-1.602	-0.187
H4	0.888	-0.051	1.445
H5	-0.888	0.051	1.445
H6	1.149	1.352	-0.900
H7	-1.149	-1.352	-0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8903	1.8903	1.0895	1.0895	2.4685	2.4685
S2	1.8903		3.2046	2.4870	2.4207	1.3754	3.2495
S3	1.8903	3.2046		2.4207	2.4870	3.2495	1.3754
H4	1.0895	2.4870	2.4207		1.7787	2.7453	3.3681
H5	1.0895	2.4207	2.4870	1.7787		3.3681	2.7453
H6	2.4685	1.3754	3.2495	2.7453	3.3681		3.5497
H7	2.4685	3.2495	1.3754	3.3681	2.7453	3.5497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.945	C1	S3	H7	96.945
S2	C1	S3	115.915	S2	C1	H4	110.243
S2	C1	H5	105.484	S3	C1	H4	105.484
S3	C1	H5	110.243	H4	C1	H5	109.426

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)