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	hartrees
Energy at 0K	-114.171948
Energy at 298.15K	-114.175815
HF Energy	-114.171948
Nuclear repulsion energy	39.458751

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'	3839	3839	31.04	40.71	0.29	0.45
2	A'	3506	3506	0.91	27.67	0.69	0.82
3	A'	3306	3306	8.88	37.58	0.03	0.06
4	A'	1701	1701	2.59	17.21	0.75	0.86
5	A'	1630	1630	0.37	1.85	0.68	0.81
6	A'	1614	1614	13.23	10.52	0.73	0.84
7	A'	1207	1207	1.31	7.06	0.38	0.55
8	A'	1117	1117	19.17	0.74	0.75	0.86
9	A"	3448	3448	10.32	26.07	0.75	0.86
10	A"	1682	1682	3.07	16.47	0.75	0.86
11	A"	1202	1202	1.61	4.60	0.75	0.86
12	A"	150	150	67.86	6.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.051	0.671	0.000
O2	-0.051	-0.780	0.000
H3	-1.104	0.996	0.000
H4	0.438	1.102	0.894
H5	0.438	1.102	-0.894
H6	0.944	-0.988	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4514	1.1015	1.1066	1.1066	1.9349
O2	1.4514		2.0646	2.1405	2.1405	1.0171
H3	1.1015	2.0646		1.7856	1.7856	2.8514
H4	1.1066	2.1405	1.7856		1.7886	2.3288
H5	1.1066	2.1405	1.7856	1.7886		2.3288
H6	1.9349	1.0171	2.8514	2.3288	2.3288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	101.777	O2	C1	H3	107.145
O2	C1	H4	112.904	O2	C1	H5	112.904
H3	C1	H4	107.924	H3	C1	H5	107.924
H4	C1	H5	107.826

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

using model chemistry: M06-2X/STO-3G

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	-0.123
2	O	-0.253
3	H	0.079
4	H	0.063
5	H	0.063
6	H	0.171

	x	y	z	Total
	1.195	0.801	0.000	1.438
CHELPG
AIM
ESP

	x	y	z
x	1.366	-0.267	0.000
y	-0.267	1.434	0.000
z	0.000	0.000	0.854

<r²>	23.527
(<r²>)^1/2	4.851

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

using model chemistry: M06-2X/STO-3G

States and conformations

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