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	hartrees
Energy at 0K	-115.552760
Energy at 298.15K	-115.556926
HF Energy	-115.552760
Nuclear repulsion energy	39.849383

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'	3706	3545	6.57	93.52	0.30	0.46
2	A'	3190	3051	25.82	72.87	0.55	0.71
3	A'	3033	2901	52.01	131.96	0.06	0.11
4	A'	1553	1486	5.52	23.48	0.74	0.85
5	A'	1516	1450	2.04	9.92	0.65	0.79
6	A'	1379	1319	19.71	6.17	0.72	0.84
7	A'	1089	1042	9.46	7.22	0.52	0.68
8	A'	1024	980	111.27	3.21	0.33	0.50
9	A"	3097	2963	77.46	69.39	0.75	0.86
10	A"	1543	1476	5.55	25.16	0.75	0.86
11	A"	1168	1118	0.00	11.17	0.75	0.86
12	A"	346	331	179.38	6.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.676	0.000
O2	-0.046	-0.765	0.000
H3	-1.094	0.976	0.000
H4	0.436	1.096	0.893
H5	0.436	1.096	-0.893
H6	0.867	-1.104	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4412	1.0899	1.0981	1.0981	2.0000
O2	1.4412		2.0320	2.1201	2.1201	0.9735
H3	1.0899	2.0320		1.7752	1.7752	2.8580
H4	1.0981	2.1201	1.7752		1.7857	2.4130
H5	1.0981	2.1201	1.7752	1.7857		2.4130
H6	2.0000	0.9735	2.8580	2.4130	2.4130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.338	O2	C1	H3	105.964
O2	C1	H4	112.506	O2	C1	H5	112.506
H3	C1	H4	108.449	H3	C1	H5	108.449
H4	C1	H5	108.793

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

using model chemistry: HSEh1PBE/6-31G

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	-0.239
2	O	-0.628
3	H	0.191
4	H	0.152
5	H	0.152
6	H	0.372

	x	y	z	Total
	1.704	1.202	0.000	2.086
CHELPG
AIM
ESP

	x	y	z
x	2.314	-0.181	0.000
y	-0.181	2.501	0.000
z	0.000	0.000	1.902

<r²>	23.914
(<r²>)^1/2	4.890

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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