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	hartrees
Energy at 0K	-438.108473
Energy at 298.15K
HF Energy	-437.729295
Nuclear repulsion energy	56.113368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	8.55
2	A'	3083	3083	27.08
3	A'	2758	2758	10.33
4	A'	1493	1493	6.13
5	A'	1371	1371	8.47
6	A'	1114	1114	12.75
7	A'	810	810	0.54
8	A'	735	735	1.58
9	A"	3181	3181	12.46
10	A"	1479	1479	3.63
11	A"	982	982	4.28
12	A"	259	259	14.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.152	0.000
S2	-0.048	-0.667	0.000
H3	1.288	-0.818	0.000
H4	-1.105	1.464	0.000
H5	0.436	1.559	0.902
H6	0.436	1.559	-0.902

	C1	S2	H3	H4	H5	H6
C1		1.8194	2.3806	1.1019	1.1012	1.1012
S2	1.8194		1.3442	2.3792	2.4500	2.4500
H3	2.3806	1.3442		3.3068	2.6813	2.6813
H4	1.1019	2.3792	3.3068		1.7876	1.7876
H5	1.1012	2.4500	2.6813	1.7876		1.8033
H6	1.1012	2.4500	2.6813	1.7876	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.457	S2	C1	H4	106.464
S2	C1	H5	111.674	S2	C1	H6	111.674
H4	C1	H5	108.472	H4	C1	H6	108.472
H5	C1	H6	109.926

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD=FULL/cc-pV(D+d)Z

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=FULL/cc-pV(D+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)