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	hartrees
Energy at 0K	-835.328060
Energy at 298.15K
HF Energy	-835.116889
Nuclear repulsion energy	138.949942

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	3193	3082	17.15	42.56	0.75	0.86
2	A	3175	3065	9.38	76.85	0.74	0.85
3	A	3050	2944	25.81	135.72	0.02	0.04
4	A	2491	2405	26.39	147.74	0.35	0.52
5	A	1508	1456	9.81	14.89	0.65	0.79
6	A	1488	1436	12.63	18.58	0.75	0.86
7	A	1414	1365	2.86	1.07	0.60	0.75
8	A	1011	976	5.39	11.40	0.75	0.86
9	A	1007	972	9.97	9.41	0.72	0.84
10	A	791	763	2.31	31.44	0.72	0.84
11	A	649	627	0.70	25.93	0.33	0.50
12	A	415	400	0.20	19.99	0.25	0.40
13	A	229	221	26.47	29.87	0.75	0.86
14	A	212	204	0.86	7.02	0.65	0.79
15	A	172	166	1.32	0.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.684	0.795	0.001
S2	-0.591	-0.758	0.007
S3	1.476	0.239	-0.087
H4	1.664	0.327	1.272
H5	-1.474	1.395	-0.895
H6	-2.724	0.431	-0.024
H7	-1.514	1.388	0.910

	C1	S2	S3	H4	H5	H6	H7
C1		1.8986	3.2088	3.6113	1.0983	1.1020	1.0990
S2	1.8986		2.2966	2.8038	2.4964	2.4419	2.5041
S3	3.2088	2.2966		1.3744	3.2697	4.2041	3.3540
H4	3.6113	2.8038	1.3744		3.9603	4.5761	3.3697
H5	1.0983	2.4964	3.2697	3.9603		1.8026	1.8051
H6	1.1020	2.4419	4.2041	4.5761	1.8026		1.8030
H7	1.0990	2.5041	3.3540	3.3697	1.8051	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	99.354	S2	C1	H5	109.921
S2	C1	H6	105.866	S2	C1	H7	110.453
S2	S3	H4	96.347	H5	C1	H6	110.024
H5	C1	H7	110.472	H6	C1	H7	110.007

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)

using model chemistry: MP2/SDD

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 CH3SSH (Hydrogen methyl disulfide)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)