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	hartrees
Energy at 0K	-115.641991
Energy at 298.15K	-115.646159
HF Energy	-115.524230
Nuclear repulsion energy	40.308777

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'	3881	3881	23.61	66.87	0.30	0.46
2	A'	3141	3141	33.98	72.07	0.54	0.70
3	A'	3011	3011	61.57	139.54	0.05	0.10
4	A'	1525	1525	3.74	14.14	0.72	0.84
5	A'	1506	1506	6.42	5.58	0.67	0.80
6	A'	1394	1394	24.47	2.59	0.73	0.85
7	A'	1097	1097	1.48	5.83	0.45	0.62
8	A'	1068	1068	114.66	2.38	0.42	0.59
9	A"	3061	3061	77.26	71.81	0.75	0.86
10	A"	1509	1509	2.32	14.74	0.75	0.86
11	A"	1183	1183	0.67	5.04	0.75	0.86
12	A"	335	335	122.42	3.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.662	0.000
O2	-0.047	-0.758	0.000
H3	-1.089	0.977	0.000
H4	0.436	1.081	0.891
H5	0.436	1.081	-0.891
H6	0.869	-1.044	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4198	1.0894	1.0966	1.0966	1.9360
O2	1.4198		2.0245	2.0994	2.0994	0.9588
H3	1.0894	2.0245		1.7699	1.7699	2.8142
H4	1.0966	2.0994	1.7699		1.7820	2.3442
H5	1.0966	2.0994	1.7699	1.7820		2.3442
H6	1.9360	0.9588	2.8142	2.3442	2.3442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.369	O2	C1	H3	106.837
O2	C1	H4	112.449	O2	C1	H5	112.449
H3	C1	H4	108.118	H3	C1	H5	108.118
H4	C1	H5	108.685

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

using model chemistry: B2PLYP/6-311G**

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	-0.100
2	O	-0.409
3	H	0.107
4	H	0.084
5	H	0.084
6	H	0.233

	x	y	z	Total
	1.433	0.975	0.000	1.733
CHELPG
AIM
ESP

	x	y	z
x	2.515	-0.143	0.001
y	-0.143	2.665	0.002
z	0.001	0.002	2.241

<r²>	23.590
(<r²>)^1/2	4.857

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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