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	hartrees
Energy at 0K	-836.015765
Energy at 298.15K
HF Energy	-835.300946
Nuclear repulsion energy	142.237361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3114	3114
2	A	2704	2704
3	A	1471	1471
4	A	1213	1213
5	A	917	917
6	A	651	651
7	A	296	296
8	A	218	218
9	B	3137	3137
10	B	2703	2703
11	B	1265	1265
12	B	1012	1012
13	B	785	785
14	B	718	718
15	B	233	233

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.787
S2	0.000	1.535	-0.180
S3	0.000	-1.535	-0.180
H4	0.878	-0.050	1.423
H5	-0.878	0.050	1.423
H6	1.084	1.233	-0.906
H7	-1.084	-1.233	-0.906

	C1	S2	S3	H4	H5	H6	H7
C1		1.8142	1.8142	1.0852	1.0852	2.3584	2.3584
S2	1.8142		3.0694	2.4189	2.3548	1.3393	3.0595
S3	1.8142	3.0694		2.3548	2.4189	3.0595	1.3393
H4	1.0852	2.4189	2.3548		1.7596	2.6662	3.2669
H5	1.0852	2.3548	2.4189	1.7596		3.2669	2.6662
H6	2.3584	1.3393	3.0595	2.6662	3.2669		3.2834
H7	2.3584	3.0595	1.3393	3.2669	2.6662	3.2834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.635	C1	S3	H7	95.635
S2	C1	S3	115.546	S2	C1	H4	110.552
S2	C1	H5	105.860	S3	C1	H4	105.860
S3	C1	H5	110.552	H4	C1	H5	108.339

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)