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	hartrees
Energy at 0K	-115.714120
Energy at 298.15K	-115.718198
HF Energy	-115.714121
Nuclear repulsion energy	40.445410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3732	40.14
2	A'	3144	3003	24.40
3	A'	3024	2888	50.80
4	A'	1520	1452	4.07
5	A'	1490	1423	4.34
6	A'	1375	1313	28.33
7	A'	1120	1070	42.40
8	A'	1072	1023	80.35
9	A"	3077	2939	50.46
10	A"	1509	1442	2.44
11	A"	1183	1130	0.82
12	A"	258	247	115.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.659	0.000
O2	-0.046	-0.752	0.000
H3	-1.086	0.979	0.000
H4	0.437	1.077	0.888
H5	0.437	1.077	-0.888
H6	0.858	-1.067	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4107	1.0879	1.0940	1.0940	1.9487
O2	1.4107		2.0193	2.0897	2.0897	0.9579
H3	1.0879	2.0193		1.7653	1.7653	2.8227
H4	1.0940	2.0897	1.7653		1.7766	2.3588
H5	1.0940	2.0897	1.7653	1.7766		2.3588
H6	1.9487	0.9579	2.8227	2.3588	2.3588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.216	O2	C1	H3	107.128
O2	C1	H4	112.467	O2	C1	H5	112.467
H3	C1	H4	108.006	H3	C1	H5	108.006
H4	C1	H5	108.574

All results from a given calculation for CH₃OH (Methyl alcohol)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.080
2	O	-0.391
3	H	0.098
4	H	0.064
5	H	0.064
6	H	0.245

	x	y	z	Total
	1.384	0.911	0.000	1.657
CHELPG
AIM
ESP

	x	y	z
x	2.730	-0.128	0.000
y	-0.128	2.943	0.000
z	0.000	0.000	2.488

<r²>	23.496
(<r²>)^1/2	4.847

All results from a given calculation for CH3OH (Methyl alcohol)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for CH₃OH (Methyl alcohol)