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	hartrees
Energy at 0K	-835.751235
Energy at 298.15K
HF Energy	-835.260888
Nuclear repulsion energy	140.471826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3090	3090	8.90
2	A	2706	2706	0.36
3	A	1448	1448	0.36
4	A	1208	1208	0.56
5	A	904	904	3.74
6	A	643	643	2.93
7	A	292	292	7.20
8	A	220	220	3.91
9	B	3150	3150	1.77
10	B	2705	2705	1.40
11	B	1260	1260	25.96
12	B	1007	1007	16.06
13	B	776	776	20.64
14	B	715	715	0.55
15	B	234	234	31.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
S2	0.000	1.555	-0.182
S3	0.000	-1.555	-0.182
H4	0.891	-0.052	1.436
H5	-0.891	0.052	1.436
H6	1.113	1.274	-0.900
H7	-1.113	-1.274	-0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8349	1.8349	1.1002	1.1002	2.3926	2.3926
S2	1.8349		3.1104	2.4479	2.3813	1.3541	3.1239
S3	1.8349	3.1104		2.3813	2.4479	3.1239	1.3541
H4	1.1002	2.4479	2.3813		1.7841	2.6950	3.3113
H5	1.1002	2.3813	2.4479	1.7841		3.3113	2.6950
H6	2.3926	1.3541	3.1239	2.6950	3.3113		3.3833
H7	2.3926	3.1239	1.3541	3.3113	2.6950	3.3833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.054	C1	S3	H7	96.054
S2	C1	S3	115.892	S2	C1	H4	110.512
S2	C1	H5	105.714	S3	C1	H4	105.714
S3	C1	H5	110.512	H4	C1	H5	108.355

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)