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	hartrees
Energy at 0K	-835.909089
Energy at 298.15K
HF Energy	-835.256599
Nuclear repulsion energy	141.917275

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	251	238	8.21	10.63	0.65	0.79
2	A	311	295	19.43	10.26	0.70	0.82
3	A	669	633	2.67	13.34	0.17	0.29
4	A	931	882	6.70	7.29	0.49	0.66
5	A	1259	1193	2.63	14.12	0.67	0.80
6	A	1486	1407	2.71	12.82	0.73	0.84
7	A	2691	2548	1.26	135.69	0.17	0.30
8	A	3128	2963	8.21	94.03	0.10	0.18
9	B	268	254	46.02	2.84	0.75	0.86
10	B	732	694	1.55	0.78	0.75	0.86
11	B	806	763	25.96	8.91	0.75	0.86
12	B	1047	991	36.23	4.94	0.75	0.86
13	B	1330	1260	21.27	1.35	0.75	0.86
14	B	2690	2548	4.22	96.88	0.75	0.86
15	B	3190	3022	0.97	65.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.770
S2	0.000	1.542	-0.180
S3	0.000	-1.542	-0.180
H4	0.877	-0.054	1.415
H5	-0.877	0.054	1.415
H6	1.136	1.293	-0.852
H7	-1.136	-1.293	-0.852

	C1	S2	S3	H4	H5	H6	H7
C1		1.8112	1.8112	1.0897	1.0897	2.3646	2.3646
S2	1.8112		3.0850	2.4205	2.3510	1.3434	3.1274
S3	1.8112	3.0850		2.3510	2.4205	3.1274	1.3434
H4	1.0897	2.4205	2.3510		1.7563	2.6493	3.2747
H5	1.0897	2.3510	2.4205	1.7563		3.2747	2.6493
H6	2.3646	1.3434	3.1274	2.6493	3.2747		3.4418
H7	2.3646	3.1274	1.3434	3.2747	2.6493	3.4418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.970	C1	S3	H7	95.970
S2	C1	S3	116.775	S2	C1	H4	110.630
S2	C1	H5	105.565	S3	C1	H4	105.565
S3	C1	H5	110.630	H4	C1	H5	107.395

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)