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	hartrees
Energy at 0K	-835.858446
Energy at 298.15K
HF Energy	-835.290166
Nuclear repulsion energy	142.302543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	3130	5.02
2	A	2743	2743	0.00
3	A	1487	1487	1.33
4	A	1231	1231	0.45
5	A	929	929	3.91
6	A	662	662	2.50
7	A	299	299	7.54
8	A	224	224	4.20
9	B	3187	3187	1.44
10	B	2742	2742	0.00
11	B	1290	1290	20.99
12	B	1029	1029	18.47
13	B	802	802	17.14
14	B	727	727	0.55
15	B	241	241	30.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
S2	0.000	1.536	-0.179
S3	0.000	-1.536	-0.179
H4	0.877	-0.052	1.416
H5	-0.877	0.052	1.416
H6	1.098	1.267	-0.891
H7	-1.098	-1.267	-0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8101	1.8101	1.0858	1.0858	2.3659	2.3659
S2	1.8101		3.0723	2.4160	2.3486	1.3364	3.0933
S3	1.8101	3.0723		2.3486	2.4160	3.0933	1.3364
H4	1.0858	2.4160	2.3486		1.7575	2.6668	3.2711
H5	1.0858	2.3486	2.4160	1.7575		3.2711	2.6668
H6	2.3659	1.3364	3.0933	2.6668	3.2711		3.3528
H7	2.3659	3.0933	1.3364	3.2711	2.6668	3.3528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.354	C1	S3	H7	96.354
S2	C1	S3	116.132	S2	C1	H4	110.582
S2	C1	H5	105.653	S3	C1	H4	105.653
S3	C1	H5	110.582	H4	C1	H5	108.059

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)