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	hartrees
Energy at 0K	-435.865617
Energy at 298.15K	-435.869534
HF Energy	-435.636874
Nuclear repulsion energy	56.001037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	2975	7.39
2	A'	3109	2905	20.85
3	A'	2772	2591	14.02
4	A'	1593	1488	9.30
5	A'	1474	1377	3.66
6	A'	1172	1095	20.63
7	A'	852	796	1.73
8	A'	715	668	2.16
9	A"	3187	2978	10.83
10	A"	1583	1479	7.35
11	A"	1045	977	6.66
12	A"	256	239	19.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.162	0.000
S2	-0.048	-0.671	0.000
H3	1.282	-0.826	0.000
H4	-1.095	1.476	0.000
H5	0.437	1.555	0.894
H6	0.437	1.555	-0.894

	C1	S2	H3	H4	H5	H6
C1		1.8331	2.3925	1.0922	1.0910	1.0910
S2	1.8331		1.3392	2.3878	2.4478	2.4478
H3	2.3925	1.3392		3.3086	2.6808	2.6808
H4	1.0922	2.3878	3.3086		1.7756	1.7756
H5	1.0910	2.4478	2.6808	1.7756		1.7886
H6	1.0910	2.4478	2.6808	1.7756	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.675	S2	C1	H4	106.670
S2	C1	H5	111.127	S2	C1	H6	111.127
H4	C1	H5	108.844	H4	C1	H6	108.844
H5	C1	H6	110.118

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)