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	hartrees
Energy at 0K	-835.986089
Energy at 298.15K
HF Energy	-835.301120
Nuclear repulsion energy	142.537418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3140	2986	5.94
2	A	2733	2599	0.04
3	A	1490	1417	1.04
4	A	1232	1172	0.44
5	A	931	885	3.89
6	A	664	631	2.60
7	A	298	284	7.43
8	A	224	213	3.28
9	B	3162	3007	1.30
10	B	2732	2599	0.21
11	B	1288	1225	20.42
12	B	1028	978	16.75
13	B	805	765	15.12
14	B	728	692	0.46
15	B	237	225	30.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
S2	0.000	1.532	-0.179
S3	0.000	-1.532	-0.179
H4	0.876	-0.048	1.418
H5	-0.876	0.048	1.418
H6	1.086	1.242	-0.901
H7	-1.086	-1.242	-0.901

	C1	S2	S3	H4	H5	H6	H7
C1		1.8092	1.8092	1.0829	1.0829	2.3575	2.3575
S2	1.8092		3.0642	2.4118	2.3495	1.3361	3.0650
S3	1.8092	3.0642		2.3495	2.4118	3.0650	1.3361
H4	1.0829	2.4118	2.3495		1.7540	2.6625	3.2638
H5	1.0829	2.3495	2.4118	1.7540		3.2638	2.6625
H6	2.3575	1.3361	3.0650	2.6625	3.2638		3.2989
H7	2.3575	3.0650	1.3361	3.2638	2.6625	3.2989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.931	C1	S3	H7	95.931
S2	C1	S3	115.742	S2	C1	H4	110.476
S2	C1	H5	105.911	S3	C1	H4	105.911
S3	C1	H5	110.476	H4	C1	H5	108.164

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)