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	hartrees
Energy at 0K	-115.054666
Energy at 298.15K	-115.058868
HF Energy	-115.054666
Nuclear repulsion energy	40.854416

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'	4188	3792	45.29	59.36	0.28	0.44
2	A'	3255	2947	45.39	67.59	0.56	0.72
3	A'	3141	2845	58.84	115.84	0.06	0.11
4	A'	1635	1480	3.03	13.27	0.74	0.85
5	A'	1614	1461	6.95	3.89	0.69	0.82
6	A'	1496	1355	41.46	2.08	0.75	0.86
7	A'	1184	1072	58.72	8.23	0.37	0.54
8	A'	1158	1049	76.42	0.83	0.75	0.86
9	A"	3189	2888	87.57	61.62	0.75	0.86
10	A"	1622	1469	1.34	14.27	0.75	0.86
11	A"	1282	1160	2.91	4.27	0.75	0.86
12	A"	330	299	122.91	1.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.652	0.000
O2	-0.046	-0.744	0.000
H3	-1.079	0.976	0.000
H4	0.440	1.062	0.884
H5	0.440	1.062	-0.884
H6	0.840	-1.057	0.000

	C1	O2	H3	H4	H5	H6
C1		1.3965	1.0829	1.0887	1.0887	1.9252
O2	1.3965		2.0069	2.0689	2.0689	0.9395
H3	1.0829	2.0069		1.7597	1.7597	2.7959
H4	1.0887	2.0689	1.7597		1.7676	2.3306
H5	1.0887	2.0689	1.7597	1.7676		2.3306
H6	1.9252	0.9395	2.7959	2.3306	2.3306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.443	O2	C1	H3	107.405
O2	C1	H4	112.117	O2	C1	H5	112.117
H3	C1	H4	108.256	H3	C1	H5	108.256
H4	C1	H5	108.547

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

using model chemistry: HF/6-31G(2df,p)

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	-0.157
2	O	-0.550
3	H	0.145
4	H	0.116
5	H	0.116
6	H	0.329

	x	y	z	Total
	1.406	0.914	0.000	1.677
CHELPG
AIM
ESP

	x	y	z
x	2.404	-0.137	0.000
y	-0.137	2.496	0.000
z	0.000	0.000	2.210

<r²>	23.061
(<r²>)^1/2	4.802

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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