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	hartrees
Energy at 0K	-835.877749
Energy at 298.15K
HF Energy	-835.299392
Nuclear repulsion energy	141.835558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3110	2927	8.05
2	A	2729	2568	0.30
3	A	1476	1389	0.74
4	A	1220	1148	0.46
5	A	919	865	3.70
6	A	654	616	2.89
7	A	296	279	9.45
8	A	221	208	4.51
9	B	3166	2980	1.30
10	B	2728	2568	0.88
11	B	1280	1205	22.45
12	B	1020	960	16.71
13	B	793	746	17.21
14	B	723	681	0.42
15	B	242	228	33.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
S2	0.000	1.542	-0.179
S3	0.000	-1.542	-0.179
H4	0.878	-0.052	1.421
H5	-0.878	0.052	1.421
H6	1.095	1.262	-0.898
H7	-1.095	-1.262	-0.898

	C1	S2	S3	H4	H5	H6	H7
C1		1.8174	1.8174	1.0866	1.0866	2.3707	2.3707
S2	1.8174		3.0831	2.4233	2.3559	1.3394	3.0948
S3	1.8174	3.0831		2.3559	2.4233	3.0948	1.3394
H4	1.0866	2.4233	2.3559		1.7595	2.6747	3.2768
H5	1.0866	2.3559	2.4233	1.7595		3.2768	2.6747
H6	2.3707	1.3394	3.0948	2.6747	3.2768		3.3422
H7	2.3707	3.0948	1.3394	3.2768	2.6747	3.3422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.172	C1	S3	H7	96.172
S2	C1	S3	116.038	S2	C1	H4	110.587
S2	C1	H5	105.669	S3	C1	H4	105.669
S3	C1	H5	110.587	H4	C1	H5	108.123

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)