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	hartrees
Energy at 0K	-115.714407
Energy at 298.15K	-115.718576
HF Energy	-115.714407
Nuclear repulsion energy	40.215472

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'	3756	3607	11.14	79.58	0.30	0.46
2	A'	3132	3008	34.72	71.10	0.52	0.69
3	A'	2998	2879	64.44	119.58	0.07	0.12
4	A'	1541	1480	4.05	20.58	0.73	0.85
5	A'	1511	1451	7.44	9.29	0.67	0.80
6	A'	1400	1345	27.97	4.30	0.75	0.86
7	A'	1096	1053	1.02	7.17	0.46	0.63
8	A'	1067	1025	120.35	1.00	0.52	0.68
9	A"	3041	2920	85.58	68.95	0.75	0.86
10	A"	1525	1464	1.58	21.86	0.75	0.86
11	A"	1183	1136	0.62	8.40	0.75	0.86
12	A"	344	331	127.63	4.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.661	0.000
O2	-0.047	-0.758	0.000
H3	-1.095	0.974	0.000
H4	0.437	1.086	0.893
H5	0.437	1.086	-0.893
H6	0.877	-1.050	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4190	1.0934	1.1012	1.1012	1.9448
O2	1.4190		2.0242	2.1050	2.1050	0.9687
H3	1.0934	2.0242		1.7766	1.7766	2.8256
H4	1.1012	2.1050	1.7766		1.7868	2.3568
H5	1.1012	2.1050	1.7766	1.7868		2.3568
H6	1.9448	0.9687	2.8256	2.3568	2.3568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.580	O2	C1	H3	106.632
O2	C1	H4	112.682	O2	C1	H5	112.682
H3	C1	H4	108.098	H3	C1	H5	108.098
H4	C1	H5	108.448

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

using model chemistry: B3LYP/6-31G*

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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	x	y	Total
	1.438	0.899	1.696
CHELPG	1.413	0.905	1.678
AIM	-0.292	-0.808	0.859
ESP	1.428	0.913	1.695

Number	Element	Mulliken
1	C	-0.205
2	O	-0.605
3	H	0.161
4	H	0.129
5	H	0.129
6	H	0.390

	x	y	z
x	2.397	-0.160	0.000
y	-0.160	2.509	0.000
z	0.000	0.000	2.075

<r²>	23.549
(<r²>)^1/2	4.853

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

using model chemistry: B3LYP/6-31G*

States and conformations

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