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	hartrees
Energy at 0K	-835.886735
Energy at 298.15K
HF Energy	-835.311230
Nuclear repulsion energy	142.763401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	222	210	3.28	4.39	0.57	0.73
2	A	302	286	8.68	3.06	0.48	0.64
3	A	660	626	3.12	12.78	0.12	0.21
4	A	916	869	4.29	5.54	0.15	0.25
5	A	1212	1149	0.48	4.46	0.65	0.78
6	A	1464	1389	1.11	8.49	0.71	0.83
7	A	2763	2620	0.40	124.84	0.07	0.12
8	A	3114	2953	4.58	106.98	0.06	0.11
9	B	241	228	35.26	0.31	0.75	0.86
10	B	724	687	0.69	0.46	0.75	0.86
11	B	799	758	17.93	5.63	0.75	0.86
12	B	1009	956	16.78	1.47	0.75	0.86
13	B	1263	1198	20.84	0.05	0.75	0.86
14	B	2762	2620	0.48	57.35	0.75	0.86
15	B	3179	3015	1.51	54.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
S2	0.000	1.529	-0.179
S3	0.000	-1.529	-0.179
H4	0.878	-0.054	1.420
H5	-0.878	0.054	1.420
H6	1.077	1.228	-0.909
H7	-1.077	-1.228	-0.909

	C1	S2	S3	H4	H5	H6	H7
C1		1.8061	1.8061	1.0861	1.0861	2.3519	2.3519
S2	1.8061		3.0572	2.4154	2.3455	1.3354	3.0483
S3	1.8061	3.0572		2.3455	2.4154	3.0483	1.3354
H4	1.0861	2.4154	2.3455		1.7592	2.6666	3.2596
H5	1.0861	2.3455	2.4154	1.7592		3.2596	2.6666
H6	2.3519	1.3354	3.0483	2.6666	3.2596		3.2666
H7	2.3519	3.0483	1.3354	3.2596	2.6666	3.2666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.783	C1	S3	H7	95.783
S2	C1	S3	115.637	S2	C1	H4	110.787
S2	C1	H5	105.667	S3	C1	H4	105.667
S3	C1	H5	110.787	H4	C1	H5	108.156

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/cc-pVQZ

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: MP2/cc-pVQZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)