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	hartrees
Energy at 0K	-115.063728
Energy at 298.15K	-115.067964
HF Energy	-115.063728
Nuclear repulsion energy	40.848650

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'	4174	3775	26.93	67.13	0.33	0.50
2	A'	3283	2970	54.94	76.79	0.53	0.70
3	A'	3161	2859	72.61	129.88	0.07	0.13
4	A'	1652	1494	3.89	13.88	0.74	0.85
5	A'	1628	1472	9.59	5.27	0.73	0.85
6	A'	1509	1364	47.29	3.07	0.69	0.81
7	A'	1182	1069	124.02	6.69	0.42	0.59
8	A'	1165	1053	26.02	3.35	0.58	0.73
9	A"	3204	2898	110.84	71.11	0.75	0.86
10	A"	1639	1482	2.14	14.92	0.75	0.86
11	A"	1288	1165	3.59	4.89	0.75	0.86
12	A"	360	325	160.28	2.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.654	0.000
O2	-0.046	-0.744	0.000
H3	-1.077	0.974	0.000
H4	0.440	1.060	0.884
H5	0.440	1.060	-0.884
H6	0.836	-1.066	0.000

	C1	O2	H3	H4	H5	H6
C1		1.3983	1.0803	1.0872	1.0872	1.9329
O2	1.3983		2.0042	2.0672	2.0672	0.9389
H3	1.0803	2.0042		1.7583	1.7583	2.7971
H4	1.0872	2.0672	1.7583		1.7674	2.3364
H5	1.0872	2.0672	1.7583	1.7674		2.3364
H6	1.9329	0.9389	2.7971	2.3364	2.3364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.034	O2	C1	H3	107.225
O2	C1	H4	111.946	O2	C1	H5	111.946
H3	C1	H4	108.428	H3	C1	H5	108.428
H4	C1	H5	108.744

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

using model chemistry: HF/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	-0.328
2	O	-0.653
3	H	0.209
4	H	0.180
5	H	0.180
6	H	0.411

	x	y	z	Total
	1.610	1.052	0.000	1.923
CHELPG
AIM
ESP	1.597	1.058	0.000	1.916

	x	y	z
x	2.308	-0.146	0.000
y	-0.146	2.356	0.000
z	0.000	0.000	2.052

<r²>	23.155
(<r²>)^1/2	4.812

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

using model chemistry: HF/6-311G*

States and conformations

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