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	hartrees
Energy at 0K	-835.955500
Energy at 298.15K
HF Energy	-835.270680
Nuclear repulsion energy	142.042027

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	243	230	7.74	10.33	0.66	0.80
2	A	309	293	14.22	8.95	0.68	0.81
3	A	670	635	2.27	12.80	0.16	0.27
4	A	934	886	5.52	6.24	0.45	0.62
5	A	1246	1182	2.36	12.97	0.66	0.79
6	A	1451	1376	1.00	12.67	0.73	0.85
7	A	2806	2661	0.33	134.37	0.16	0.27
8	A	3134	2973	9.11	97.93	0.09	0.17
9	B	265	251	37.85	2.57	0.75	0.86
10	B	729	692	0.92	0.65	0.75	0.86
11	B	809	767	24.85	8.79	0.75	0.86
12	B	1039	986	36.31	4.59	0.75	0.86
13	B	1315	1248	26.50	0.98	0.75	0.86
14	B	2805	2661	1.65	90.18	0.75	0.86
15	B	3193	3029	1.22	64.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.768
S2	0.000	1.543	-0.180
S3	0.000	-1.543	-0.180
H4	0.877	-0.054	1.414
H5	-0.877	0.054	1.414
H6	1.130	1.288	-0.843
H7	-1.130	-1.288	-0.843

	C1	S2	S3	H4	H5	H6	H7
C1		1.8106	1.8106	1.0903	1.0903	2.3522	2.3522
S2	1.8106		3.0855	2.4203	2.3507	1.3348	3.1196
S3	1.8106	3.0855		2.3507	2.4203	3.1196	1.3348
H4	1.0903	2.4203	2.3507		1.7563	2.6386	3.2628
H5	1.0903	2.3507	2.4203	1.7563		3.2628	2.6386
H6	2.3522	1.3348	3.1196	2.6386	3.2628		3.4270
H7	2.3522	3.1196	1.3348	3.2628	2.6386	3.4270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.616	C1	S3	H7	95.616
S2	C1	S3	116.877	S2	C1	H4	110.626
S2	C1	H5	105.556	S3	C1	H4	105.556
S3	C1	H5	110.626	H4	C1	H5	107.304

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)