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	hartrees
Energy at 0K	-835.848753
Energy at 298.15K
HF Energy	-835.301109
Nuclear repulsion energy	142.354011

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	219	219	3.12	3.78	0.35	0.52
2	A	300	300	7.55	0.89	0.17	0.28
3	A	657	657	2.96	14.22	0.13	0.23
4	A	914	914	4.18	8.73	0.08	0.15
5	A	1213	1213	0.54	3.07	0.71	0.83
6	A	1469	1469	0.96	8.27	0.61	0.76
7	A	2756	2756	0.29	146.02	0.05	0.10
8	A	3111	3111	4.38	107.81	0.06	0.11
9	B	239	239	33.32	0.17	0.75	0.86
10	B	726	726	0.78	0.49	0.75	0.86
11	B	793	793	18.95	5.22	0.75	0.86
12	B	1009	1009	16.26	0.85	0.75	0.86
13	B	1263	1263	21.95	0.05	0.75	0.86
14	B	2756	2756	0.29	47.01	0.75	0.86
15	B	3174	3174	1.68	53.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
S2	0.000	1.533	-0.180
S3	0.000	-1.533	-0.180
H4	0.880	-0.053	1.422
H5	-0.880	0.053	1.422
H6	1.085	1.235	-0.904
H7	-1.085	-1.235	-0.904

	C1	S2	S3	H4	H5	H6	H7
C1		1.8119	1.8119	1.0875	1.0875	2.3576	2.3576
S2	1.8119		3.0663	2.4204	2.3517	1.3382	3.0601
S3	1.8119	3.0663		2.3517	2.4204	3.0601	1.3382
H4	1.0875	2.4204	2.3517		1.7638	2.6670	3.2664
H5	1.0875	2.3517	2.4204	1.7638		3.2664	2.6670
H6	2.3576	1.3382	3.0601	2.6670	3.2664		3.2877
H7	2.3576	3.0601	1.3382	3.2664	2.6670	3.2877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.734	C1	S3	H7	95.734
S2	C1	S3	115.593	S2	C1	H4	110.693
S2	C1	H5	105.679	S3	C1	H4	105.679
S3	C1	H5	110.693	H4	C1	H5	108.384

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)