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	hartrees
Energy at 0K	-835.568871
Energy at 298.15K
HF Energy	-835.204689
Nuclear repulsion energy	141.937816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	2955	8.65
2	A	2820	2605	5.07
3	A	1544	1427	2.31
4	A	1288	1190	1.24
5	A	964	890	5.00
6	A	686	633	3.65
7	A	317	293	20.29
8	A	255	236	5.76
9	B	3258	3009	1.16
10	B	2819	2604	12.42
11	B	1367	1262	20.94
12	B	1078	996	32.57
13	B	830	767	18.32
14	B	762	704	0.71
15	B	265	245	43.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
S2	0.000	1.541	-0.179
S3	0.000	-1.541	-0.179
H4	0.875	-0.050	1.420
H5	-0.875	0.050	1.420
H6	1.106	1.284	-0.886
H7	-1.106	-1.284	-0.886

	C1	S2	S3	H4	H5	H6	H7
C1		1.8137	1.8137	1.0873	1.0873	2.3741	2.3741
S2	1.8137		3.0827	2.4201	2.3548	1.3378	3.1153
S3	1.8137	3.0827		2.3548	2.4201	3.1153	1.3378
H4	1.0873	2.4201	2.3548		1.7537	2.6738	3.2809
H5	1.0873	2.3548	2.4201	1.7537		3.2809	2.6738
H6	2.3741	1.3378	3.1153	2.6738	3.2809		3.3895
H7	2.3741	3.1153	1.3378	3.2809	2.6738	3.3895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.593	C1	S3	H7	96.593
S2	C1	S3	116.387	S2	C1	H4	110.556
S2	C1	H5	105.795	S3	C1	H4	105.795
S3	C1	H5	110.556	H4	C1	H5	107.497

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)