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	hartrees
Energy at 0K	-115.668063
Energy at 298.15K	-115.672211
HF Energy	-115.668064
Nuclear repulsion energy	39.817104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3588	3559	3.72
2	A'	3047	3023	35.96
3	A'	2906	2882	71.71
4	A'	1502	1490	4.34
5	A'	1470	1458	8.50
6	A'	1368	1357	23.52
7	A'	1062	1053	6.98
8	A'	1011	1003	104.98
9	A"	2940	2917	93.74
10	A"	1483	1471	1.11
11	A"	1145	1136	0.29
12	A"	347	344	117.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.664	0.000
O2	-0.046	-0.763	0.000
H3	-1.102	0.978	0.000
H4	0.435	1.106	0.898
H5	0.435	1.106	-0.898
H6	0.881	-1.065	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4274	1.1009	1.1101	1.1101	1.9617
O2	1.4274		2.0361	2.1287	2.1287	0.9750
H3	1.1009	2.0361		1.7839	1.7839	2.8465
H4	1.1101	2.1287	1.7839		1.7952	2.3909
H5	1.1101	2.1287	1.7839	1.7952		2.3909
H6	1.9617	0.9750	2.8465	2.3909	2.3909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.010	O2	C1	H3	106.568
O2	C1	H4	113.456	O2	C1	H5	113.456
H3	C1	H4	107.569	H3	C1	H5	107.569
H4	C1	H5	107.911

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.188
2	O	-0.565
3	H	0.149
4	H	0.117
5	H	0.117
6	H	0.370

	x	y	z	Total
	1.385	0.845	0.000	1.622
CHELPG
AIM
ESP

	x	y	z
x	2.476	-0.168	0.000
y	-0.168	2.636	0.000
z	0.000	0.000	2.122

<r²>	23.902
(<r²>)^1/2	4.889

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

using model chemistry: BLYP/6-31G*

States and conformations

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