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	hartrees
Energy at 0K	-836.239129
Energy at 298.15K
HF Energy	-835.289933
Nuclear repulsion energy	142.217179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3089	3089
2	A	2696	2696
3	A	1470	1470
4	A	1214	1214
5	A	917	917
6	A	650	650
7	A	296	296
8	A	220	220
9	B	3143	3143
10	B	2695	2695
11	B	1271	1271
12	B	1015	1015
13	B	785	785
14	B	719	719
15	B	238	238

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.536	-0.179
S3	0.000	-1.536	-0.179
H4	0.879	-0.054	1.419
H5	-0.879	0.054	1.419
H6	1.100	1.257	-0.892
H7	-1.100	-1.257	-0.892

	C1	S2	S3	H4	H5	H6	H7
C1		1.8112	1.8112	1.0884	1.0884	2.3633	2.3633
S2	1.8112		3.0725	2.4200	2.3506	1.3398	3.0854
S3	1.8112	3.0725		2.3506	2.4200	3.0854	1.3398
H4	1.0884	2.4200	2.3506		1.7622	2.6661	3.2719
H5	1.0884	2.3506	2.4200	1.7622		3.2719	2.6661
H6	2.3633	1.3398	3.0854	2.6661	3.2719		3.3402
H7	2.3633	3.0854	1.3398	3.2719	2.6661	3.3402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.030	C1	S3	H7	96.030
S2	C1	S3	116.036	S2	C1	H4	110.666
S2	C1	H5	105.602	S3	C1	H4	105.602
S3	C1	H5	110.666	H4	C1	H5	108.103

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)