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	hartrees
Energy at 0K	-115.026369
Energy at 298.15K	-115.030554
HF Energy	-115.026369
Nuclear repulsion energy	39.059231

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'	3286	3265	8.00	89.77	0.30	0.47
2	A'	3039	3019	29.86	76.95	0.45	0.62
3	A'	2891	2872	63.63	115.17	0.09	0.17
4	A'	1545	1535	5.17	27.20	0.74	0.85
5	A'	1487	1477	5.12	11.05	0.62	0.77
6	A'	1372	1363	18.72	8.32	0.74	0.85
7	A'	1053	1047	20.52	6.67	0.51	0.67
8	A'	938	932	64.46	2.17	0.40	0.57
9	A"	2915	2896	104.53	72.15	0.75	0.86
10	A"	1523	1513	2.31	28.90	0.75	0.86
11	A"	1115	1108	0.14	13.08	0.75	0.86
12	A"	394	392	125.11	8.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	0.687	0.000
O2	-0.048	-0.788	0.000
H3	-1.109	0.977	0.000
H4	0.428	1.134	0.898
H5	0.428	1.134	-0.898
H6	0.924	-1.064	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4750	1.1000	1.1102	1.1102	2.0027
O2	1.4750		2.0595	2.1738	2.1738	1.0105
H3	1.1000	2.0595		1.7871	1.7871	2.8809
H4	1.1102	2.1738	1.7871		1.7958	2.4251
H5	1.1102	2.1738	1.7871	1.7958		2.4251
H6	2.0027	1.0105	2.8809	2.4251	2.4251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	105.843	O2	C1	H3	105.294
O2	C1	H4	113.720	O2	C1	H5	113.720
H3	C1	H4	107.918	H3	C1	H5	107.918
H4	C1	H5	107.959

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

using model chemistry: BLYP/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	-0.326
2	O	-0.498
3	H	0.197
4	H	0.156
5	H	0.156
6	H	0.314

	x	y	z	Total
	1.439	0.948	0.000	1.724
CHELPG
AIM
ESP

	x	y	z
x	2.327	-0.226	0.000
y	-0.226	2.552	0.000
z	0.000	0.000	1.830

<r²>	24.491
(<r²>)^1/2	4.949

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

using model chemistry: BLYP/3-21G*

States and conformations

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