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	hartrees
Energy at 0K	-23.447477
Energy at 298.15K	-23.451650
HF Energy	-23.447477
Nuclear repulsion energy	25.113433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4091	3688	21.29
2	A'	3358	3027	68.27
3	A'	3210	2894	86.21
4	A'	1641	1479	6.07
5	A'	1609	1451	5.82
6	A'	1436	1294	30.72
7	A'	1125	1014	10.94
8	A'	1113	1003	153.90
9	A"	3286	2962	141.85
10	A"	1637	1475	3.87
11	A"	1254	1130	1.78
12	A"	322	290	221.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.045	0.681	0.000
O2	-0.045	-0.761	0.000
H3	-1.086	0.982	0.000
H4	0.443	1.078	0.891
H5	0.443	1.078	-0.891
H6	0.832	-1.141	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4422	1.0833	1.0906	1.0906	2.0223
O2	1.4422		2.0299	2.1007	2.1007	0.9559
H3	1.0833	2.0299		1.7722	1.7722	2.8609
H4	1.0906	2.1007	1.7722		1.7817	2.4222
H5	1.0906	2.1007	1.7722	1.7817		2.4222
H6	2.0223	0.9559	2.8609	2.4222	2.4222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	113.422	O2	C1	H3	106.115
O2	C1	H4	111.320	O2	C1	H5	111.320
H3	C1	H4	109.225	H3	C1	H5	109.225
H4	C1	H5	109.548

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.220
2	O	-0.566
3	H	0.167
4	H	0.129
5	H	0.129
6	H	0.361

	x	y	z	Total
	1.894	1.512	0.000	2.423
CHELPG
AIM
ESP

	x	y	z
x	2.086	-0.200	0.000
y	-0.200	2.245	0.000
z	0.000	0.000	1.663

<r²>	21.809
(<r²>)^1/2	4.670

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

using model chemistry: HF/CEP-31G

States and conformations

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