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	hartrees
Energy at 0K	-115.730345
Energy at 298.15K	-115.734492
HF Energy	-115.730345
Nuclear repulsion energy	40.301022

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'	3831	3697	17.75	69.27	0.28	0.44
2	A'	3106	2997	30.76	65.64	0.53	0.69
3	A'	2981	2877	58.57	114.97	0.05	0.10
4	A'	1513	1460	3.38	15.61	0.74	0.85
5	A'	1486	1434	4.67	5.82	0.65	0.79
6	A'	1390	1341	27.04	2.70	0.73	0.85
7	A'	1093	1055	1.43	6.47	0.40	0.57
8	A'	1056	1019	110.39	0.83	0.45	0.62
9	A"	3026	2920	72.22	63.67	0.75	0.86
10	A"	1495	1443	1.38	16.51	0.75	0.86
11	A"	1175	1134	0.86	5.53	0.75	0.86
12	A"	323	312	106.06	2.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.660	0.000
O2	-0.047	-0.757	0.000
H3	-1.093	0.977	0.000
H4	0.438	1.084	0.892
H5	0.438	1.084	-0.892
H6	0.869	-1.050	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4162	1.0935	1.1002	1.1002	1.9391
O2	1.4162		2.0249	2.1021	2.1021	0.9613
H3	1.0935	2.0249		1.7748	1.7748	2.8208
H4	1.1002	2.1021	1.7748		1.7842	2.3529
H5	1.1002	2.1021	1.7748	1.7842		2.3529
H6	1.9391	0.9613	2.8208	2.3529	2.3529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.758	O2	C1	H3	106.866
O2	C1	H4	112.704	O2	C1	H5	112.704
H3	C1	H4	108.004	H3	C1	H5	108.004
H4	C1	H5	108.353

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.220
2	O	-0.403
3	H	0.132
4	H	0.103
5	H	0.103
6	H	0.286

	x	y	z	Total
	1.309	0.787	0.000	1.527
CHELPG
AIM
ESP

	x	y	z
x	2.539	-0.155	0.000
y	-0.155	2.708	0.000
z	0.000	0.000	2.298

<r²>	23.468
(<r²>)^1/2	4.844

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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