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	hartrees
Energy at 0K	-438.116955
Energy at 298.15K	-438.120864
HF Energy	-437.758875
Nuclear repulsion energy	56.630020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3225	7.22
2	A'	3137	3137	22.73
3	A'	2800	2800	3.25
4	A'	1541	1541	6.59
5	A'	1411	1411	6.17
6	A'	1140	1140	11.63
7	A'	826	826	0.49
8	A'	752	752	1.57
9	A"	3228	3228	8.23
10	A"	1526	1526	4.21
11	A"	1009	1009	3.92
12	A"	247	247	13.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	1.147	0.000
S2	-0.047	-0.662	0.000
H3	1.272	-0.828	0.000
H4	-1.087	1.453	0.000
H5	0.430	1.541	0.887
H6	0.430	1.541	-0.887

	C1	S2	H3	H4	H5	H6
C1		1.8091	2.3752	1.0831	1.0817	1.0817
S2	1.8091		1.3295	2.3561	2.4223	2.4223
H3	2.3752	1.3295		3.2807	2.6661	2.6661
H4	1.0831	2.3561	3.2807		1.7590	1.7590
H5	1.0817	2.4223	2.6661	1.7590		1.7749
H6	1.0817	2.4223	2.6661	1.7590	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	97.180	S2	C1	H4	106.382
S2	C1	H5	111.341	S2	C1	H6	111.341
H4	C1	H5	108.695	H4	C1	H6	108.695
H5	C1	H6	110.244

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CISD/cc-pV(T+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: CISD/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)