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	hartrees
Energy at 0K	-115.618072
Energy at 298.15K	-115.622266
HF Energy	-115.618072
Nuclear repulsion energy	40.448514

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'	3851	3695	11.80	72.80	0.32	0.48
2	A'	3143	3016	36.46	74.69	0.54	0.70
3	A'	3002	2880	70.09	135.87	0.06	0.12
4	A'	1529	1467	4.22	15.99	0.72	0.84
5	A'	1501	1440	4.97	7.03	0.68	0.81
6	A'	1402	1345	31.59	2.68	0.74	0.85
7	A'	1107	1062	24.48	6.81	0.47	0.64
8	A'	1083	1040	104.42	0.60	0.73	0.84
9	A"	3051	2928	88.19	76.65	0.75	0.86
10	A"	1512	1451	3.47	16.26	0.75	0.86
11	A"	1184	1136	0.38	5.55	0.75	0.86
12	A"	359	345	147.40	3.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.657	0.000
O2	-0.046	-0.752	0.000
H3	-1.090	0.973	0.000
H4	0.437	1.079	0.892
H5	0.437	1.079	-0.892
H6	0.864	-1.054	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4090	1.0905	1.0986	1.0986	1.9381
O2	1.4090		2.0160	2.0931	2.0931	0.9591
H3	1.0905	2.0160		1.7713	1.7713	2.8154
H4	1.0986	2.0931	1.7713		1.7839	2.3512
H5	1.0986	2.0931	1.7713	1.7839		2.3512
H6	1.9381	0.9591	2.8154	2.3512	2.3512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.354	O2	C1	H3	106.833
O2	C1	H4	112.588	O2	C1	H5	112.588
H3	C1	H4	108.029	H3	C1	H5	108.029
H4	C1	H5	108.573

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

using model chemistry: HSEh1PBE/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	-0.440
2	O	-0.568
3	H	0.226
4	H	0.196
5	H	0.196
6	H	0.389

	x	y	z	Total
	1.550	0.932	0.000	1.808
CHELPG
AIM
ESP

	x	y	z
x	2.457	-0.138	0.000
y	-0.138	2.579	0.000
z	0.000	0.000	2.182

<r²>	23.440
(<r²>)^1/2	4.842

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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