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	hartrees
Energy at 0K	-114.039150
Energy at 298.15K	-114.043298
HF Energy	-114.039150
Nuclear repulsion energy	38.925497

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'	3567	3259	43.17	35.65	0.28	0.44
2	A'	3355	3065	2.86	30.13	0.65	0.79
3	A'	3134	2863	24.89	44.55	0.03	0.06
4	A'	1647	1505	3.61	17.19	0.75	0.86
5	A'	1565	1430	1.94	4.67	0.75	0.86
6	A'	1551	1417	9.53	9.39	0.67	0.80
7	A'	1126	1029	0.39	5.45	0.41	0.58
8	A'	1052	961	23.45	0.32	0.66	0.80
9	A"	3256	2974	25.10	31.00	0.75	0.86
10	A"	1618	1479	3.12	15.70	0.75	0.86
11	A"	1151	1052	0.37	4.97	0.75	0.86
12	A"	414	378	59.43	6.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.052	0.679	0.000
O2	-0.052	-0.793	0.000
H3	-1.118	0.996	0.000
H4	0.438	1.126	0.903
H5	0.438	1.126	-0.903
H6	0.969	-0.982	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4715	1.1120	1.1205	1.1205	1.9495
O2	1.4715		2.0818	2.1765	2.1765	1.0387
H3	1.1120	2.0818		1.8036	1.8036	2.8751
H4	1.1205	2.1765	1.8036		1.8061	2.3540
H5	1.1205	2.1765	1.8036	1.8061		2.3540
H6	1.9495	1.0387	2.8751	2.3540	2.3540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	100.489	O2	C1	H3	106.545
O2	C1	H4	113.530	O2	C1	H5	113.530
H3	C1	H4	107.779	H3	C1	H5	107.779
H4	C1	H5	107.402

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

using model chemistry: PBEPBE/STO-3G

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	-0.158
2	O	-0.222
3	H	0.083
4	H	0.067
5	H	0.067
6	H	0.163

	x	y	z	Total
	1.110	0.685	0.000	1.305
CHELPG
AIM
ESP

	x	y	z
x	1.395	-0.242	0.000
y	-0.242	1.516	0.000
z	0.000	0.000	0.878

<r²>	23.925
(<r²>)^1/2	4.891

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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