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	hartrees
Energy at 0K	-114.949754
Energy at 298.15K	-114.953961
HF Energy	-114.949754
Nuclear repulsion energy	39.631299

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'	3541	3399	1.11	90.40	0.31	0.47
2	A'	3149	3023	25.77	70.81	0.51	0.67
3	A'	3008	2887	49.33	112.29	0.07	0.14
4	A'	1585	1522	4.86	25.94	0.74	0.85
5	A'	1526	1465	1.78	9.81	0.65	0.79
6	A'	1403	1347	23.13	6.77	0.75	0.86
7	A'	1092	1048	12.48	6.76	0.51	0.68
8	A'	1016	976	86.97	2.22	0.34	0.51
9	A"	3050	2927	83.42	66.06	0.75	0.86
10	A"	1567	1504	4.49	27.86	0.75	0.86
11	A"	1160	1114	0.08	10.59	0.75	0.86
12	A"	384	369	150.03	7.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.676	0.000
O2	-0.047	-0.773	0.000
H3	-1.098	0.974	0.000
H4	0.429	1.113	0.891
H5	0.429	1.113	-0.891
H6	0.898	-1.069	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4490	1.0923	1.1009	1.1009	1.9846
O2	1.4490		2.0388	2.1401	2.1401	0.9905
H3	1.0923	2.0388		1.7729	1.7729	2.8564
H4	1.1009	2.1401	1.7729		1.7823	2.4040
H5	1.1009	2.1401	1.7729	1.7823		2.4040
H6	1.9846	0.9905	2.8564	2.4040	2.4040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.396	O2	C1	H3	105.846
O2	C1	H4	113.429	O2	C1	H5	113.429
H3	C1	H4	107.878	H3	C1	H5	107.878
H4	C1	H5	108.096

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.391
2	O	-0.566
3	H	0.232
4	H	0.188
5	H	0.188
6	H	0.348

	x	y	z	Total
	1.561	1.064	0.000	1.889
CHELPG
AIM
ESP

	x	y	z
x	2.222	-0.211	0.000
y	-0.211	2.383	0.000
z	0.000	0.000	1.785

<r²>	23.965
(<r²>)^1/2	4.895

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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