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	hartrees
Energy at 0K	-835.694249
Energy at 298.15K
HF Energy	-835.256310
Nuclear repulsion energy	141.291303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3092	2961	11.97
2	A	2619	2508	3.69
3	A	1482	1419	1.91
4	A	1252	1199	2.60
5	A	927	887	5.76
6	A	659	631	2.51
7	A	304	291	16.38
8	A	247	236	8.55
9	B	3147	3013	2.09
10	B	2619	2508	11.08
11	B	1325	1269	21.74
12	B	1044	999	35.24
13	B	794	760	24.98
14	B	728	697	1.05
15	B	261	250	40.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.773
S2	0.000	1.549	-0.180
S3	0.000	-1.549	-0.180
H4	0.879	-0.052	1.420
H5	-0.879	0.052	1.420
H6	1.145	1.302	-0.852
H7	-1.145	-1.302	-0.852

	C1	S2	S3	H4	H5	H6	H7
C1		1.8194	1.8194	1.0923	1.0923	2.3764	2.3764
S2	1.8194		3.0987	2.4283	2.3614	1.3500	3.1451
S3	1.8194	3.0987		2.3614	2.4283	3.1451	1.3500
H4	1.0923	2.4283	2.3614		1.7611	2.6579	3.2893
H5	1.0923	2.3614	2.4283	1.7611		3.2893	2.6579
H6	2.3764	1.3500	3.1451	2.6579	3.2893		3.4673
H7	2.3764	3.1451	1.3500	3.2893	2.6579	3.4673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.013	C1	S3	H7	96.013
S2	C1	S3	116.763	S2	C1	H4	110.521
S2	C1	H5	105.659	S3	C1	H4	105.659
S3	C1	H5	110.521	H4	C1	H5	107.437

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)