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	hartrees
Energy at 0K	-835.885671
Energy at 298.15K
HF Energy	-835.289827
Nuclear repulsion energy	141.927953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3074	2901
2	A	2706	2554
3	A	1464	1382
4	A	1209	1141
5	A	912	860
6	A	647	611
7	A	295	279
8	A	217	205
9	B	3133	2957
10	B	2705	2553
11	B	1265	1194
12	B	1009	953
13	B	781	737
14	B	715	675
15	B	240	226

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
S2	0.000	1.540	-0.180
S3	0.000	-1.540	-0.180
H4	0.881	-0.054	1.422
H5	-0.881	0.054	1.422
H6	1.101	1.261	-0.891
H7	-1.101	-1.261	-0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8153	1.8153	1.0904	1.0904	2.3669	2.3669
S2	1.8153		3.0793	2.4253	2.3556	1.3402	3.0927
S3	1.8153	3.0793		2.3556	2.4253	3.0927	1.3402
H4	1.0904	2.4253	2.3556		1.7655	2.6699	3.2767
H5	1.0904	2.3556	2.4253	1.7655		3.2767	2.6699
H6	2.3669	1.3402	3.0927	2.6699	3.2767		3.3491
H7	2.3669	3.0927	1.3402	3.2767	2.6699	3.3491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.026	C1	S3	H7	96.026
S2	C1	S3	116.025	S2	C1	H4	110.674
S2	C1	H5	105.598	S3	C1	H4	105.598
S3	C1	H5	110.674	H4	C1	H5	108.107

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4/6-311+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: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)