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	hartrees
Energy at 0K	-835.794408
Energy at 298.15K
HF Energy	-835.299684
Nuclear repulsion energy	142.525510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	2961	7.54
2	A	2814	2617	0.13
3	A	1517	1410	1.00
4	A	1258	1170	0.41
5	A	946	880	3.83
6	A	676	628	3.17
7	A	304	283	10.47
8	A	229	213	5.04
9	B	3243	3015	1.17
10	B	2814	2616	0.39
11	B	1321	1228	22.68
12	B	1052	978	18.51
13	B	823	765	17.34
14	B	742	690	0.35
15	B	249	232	34.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.535	-0.178
S3	0.000	-1.535	-0.178
H4	0.873	-0.051	1.413
H5	-0.873	0.051	1.413
H6	1.090	1.271	-0.895
H7	-1.090	-1.271	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8079	1.8079	1.0804	1.0804	2.3669	2.3669
S2	1.8079		3.0693	2.4097	2.3436	1.3309	3.0944
S3	1.8079	3.0693		2.3436	2.4097	3.0944	1.3309
H4	1.0804	2.4097	2.3436		1.7482	2.6689	3.2659
H5	1.0804	2.3436	2.4097	1.7482		3.2659	2.6689
H6	2.3669	1.3309	3.0944	2.6689	3.2659		3.3488
H7	2.3669	3.0944	1.3309	3.2659	2.6689	3.3488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.714	C1	S3	H7	96.714
S2	C1	S3	116.176	S2	C1	H4	110.542
S2	C1	H5	105.695	S3	C1	H4	105.695
S3	C1	H5	110.542	H4	C1	H5	108.002

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CISD/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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)