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	hartrees
Energy at 0K	-115.757395
Energy at 298.15K	-115.761548
HF Energy	-115.757395
Nuclear repulsion energy	40.249431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3839	3712	20.86	71.03	0.30	0.46
2	A'	3103	3000	34.70	76.37	0.51	0.67
3	A'	2974	2875	65.33	143.62	0.06	0.11
4	A'	1508	1458	3.86	14.61	0.72	0.83
5	A'	1489	1439	5.53	5.86	0.66	0.79
6	A'	1380	1334	25.15	2.52	0.74	0.85
7	A'	1085	1049	2.40	5.65	0.46	0.63
8	A'	1053	1018	116.61	2.14	0.48	0.65
9	A"	3016	2916	82.01	76.67	0.75	0.86
10	A"	1492	1442	2.55	15.27	0.75	0.86
11	A"	1168	1129	0.40	5.21	0.75	0.86
12	A"	329	318	122.88	3.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.662	0.000
O2	-0.046	-0.759	0.000
H3	-1.091	0.979	0.000
H4	0.436	1.084	0.892
H5	0.436	1.084	-0.892
H6	0.869	-1.052	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4210	1.0909	1.0986	1.0986	1.9435
O2	1.4210		2.0268	2.1033	2.1033	0.9611
H3	1.0909	2.0268		1.7717	1.7717	2.8218
H4	1.0986	2.1033	1.7717		1.7845	2.3548
H5	1.0986	2.1033	1.7717	1.7845		2.3548
H6	1.9435	0.9611	2.8218	2.3548	2.3548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.781	O2	C1	H3	106.844
O2	C1	H4	112.556	O2	C1	H5	112.556
H3	C1	H4	108.033	H3	C1	H5	108.033
H4	C1	H5	108.619

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

using model chemistry: B3LYP/6-311G**

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	-0.116
2	O	-0.406
3	H	0.110
4	H	0.088
5	H	0.088
6	H	0.236

	x	y	z	Total
	1.428	0.948	0.000	1.714
CHELPG
AIM
ESP

	x	y	z
x	2.551	-0.146	0.000
y	-0.146	2.712	0.000
z	0.000	0.000	2.278

<r²>	23.629
(<r²>)^1/2	4.861

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

using model chemistry: B3LYP/6-311G**

States and conformations

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