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	hartrees
Energy at 0K	-23.451619
Energy at 298.15K	-23.455812
HF Energy	-23.451619
Nuclear repulsion energy	25.169088

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'	4045	3691	19.10	86.79	0.32	0.48
2	A'	3298	3010	46.12	72.96	0.59	0.74
3	A'	3146	2871	69.02	147.34	0.05	0.10
4	A'	1641	1497	5.62	17.10	0.75	0.86
5	A'	1605	1464	7.83	5.70	0.75	0.85
6	A'	1440	1314	31.02	6.34	0.67	0.80
7	A'	1125	1027	0.78	11.74	0.47	0.64
8	A'	1114	1016	161.54	6.57	0.27	0.42
9	A"	3226	2944	98.91	64.98	0.75	0.86
10	A"	1635	1492	4.25	18.96	0.75	0.86
11	A"	1253	1143	2.14	8.75	0.75	0.86
12	A"	330	301	212.34	4.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.045	0.680	0.000
O2	-0.045	-0.760	0.000
H3	-1.082	0.985	0.000
H4	0.443	1.076	0.887
H5	0.443	1.076	-0.887
H6	0.830	-1.136	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4403	1.0802	1.0874	1.0874	2.0158
O2	1.4403		2.0296	2.0972	2.0972	0.9520
H3	1.0802	2.0296		1.7661	1.7661	2.8548
H4	1.0874	2.0972	1.7661		1.7744	2.4147
H5	1.0874	2.0972	1.7661	1.7744		2.4147
H6	2.0158	0.9520	2.8548	2.4147	2.4147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	113.244	O2	C1	H3	106.387
O2	C1	H4	111.370	O2	C1	H5	111.370
H3	C1	H4	109.136	H3	C1	H5	109.136
H4	C1	H5	109.359

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

using model chemistry: HF/CEP-121G

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	-0.197
2	O	-0.600
3	H	0.167
4	H	0.132
5	H	0.132
6	H	0.366

	x	y	z	Total
	1.839	1.439	0.000	2.335
CHELPG
AIM
ESP

	x	y	z
x	2.350	-0.173	0.000
y	-0.173	2.441	0.000
z	0.000	0.000	2.024

<r²>	21.798
(<r²>)^1/2	4.669

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

using model chemistry: HF/CEP-121G

States and conformations

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