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	hartrees
Energy at 0K	-835.743078
Energy at 298.15K
HF Energy	-835.270227
Nuclear repulsion energy	141.000498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3127	2987	12.78
2	A	2736	2614	1.98
3	A	1465	1400	0.29
4	A	1224	1169	0.99
5	A	922	881	4.38
6	A	653	624	3.29
7	A	300	287	13.11
8	A	228	217	6.18
9	B	3189	3046	2.43
10	B	2736	2613	6.81
11	B	1315	1256	28.39
12	B	1031	985	23.98
13	B	786	751	20.42
14	B	726	694	0.65
15	B	257	245	38.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.555	-0.180
S3	0.000	-1.555	-0.180
H4	0.879	-0.053	1.417
H5	-0.879	0.053	1.417
H6	1.118	1.291	-0.874
H7	-1.118	-1.291	-0.874

	C1	S2	S3	H4	H5	H6	H7
C1		1.8273	1.8273	1.0874	1.0874	2.3772	2.3772
S2	1.8273		3.1098	2.4314	2.3622	1.3422	3.1354
S3	1.8273	3.1098		2.3622	2.4314	3.1354	1.3422
H4	1.0874	2.4314	2.3622		1.7615	2.6673	3.2820
H5	1.0874	2.3622	2.4314	1.7615		3.2820	2.6673
H6	2.3772	1.3422	3.1354	2.6673	3.2820		3.4161
H7	2.3772	3.1354	1.3422	3.2820	2.6673	3.4161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.977	C1	S3	H7	95.977
S2	C1	S3	116.625	S2	C1	H4	110.478
S2	C1	H5	105.446	S3	C1	H4	105.446
S3	C1	H5	110.478	H4	C1	H5	108.179

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)