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	hartrees
Energy at 0K	-438.153421
Energy at 298.15K	-438.157293
HF Energy	-437.756551
Nuclear repulsion energy	56.308976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	2984	7.20
2	A'	3081	2900	22.59
3	A'	2730	2569	4.44
4	A'	1511	1422	6.14
5	A'	1379	1298	6.61
6	A'	1111	1046	10.47
7	A'	808	760	0.54
8	A'	732	689	1.51
9	A"	3172	2985	8.35
10	A"	1497	1409	3.89
11	A"	988	929	3.74
12	A"	238	224	12.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.666	0.000
H3	1.282	-0.819	0.000
H4	-1.092	1.456	0.000
H5	0.431	1.548	0.891
H6	0.431	1.548	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8191	2.3792	1.0872	1.0865	1.0865
S2	1.8191		1.3390	2.3646	2.4344	2.4344
H3	2.3792	1.3390		3.2884	2.6691	2.6691
H4	1.0872	2.3646	3.2884		1.7677	1.7677
H5	1.0865	2.4344	2.6691	1.7677		1.7829
H6	1.0865	2.4344	2.6691	1.7677	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.583	S2	C1	H4	106.151
S2	C1	H5	111.316	S2	C1	H6	111.316
H4	C1	H5	108.822	H4	C1	H6	108.822
H5	C1	H6	110.271

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD/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 CH3SH (Methanethiol)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)