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	hartrees
Energy at 0K	-115.516164
Energy at 298.15K	-115.520321
HF Energy	-115.443451
Nuclear repulsion energy	39.607139

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'	3664	3664	5.38	93.43	0.30	0.46
2	A'	3192	3192	27.19	70.69	0.55	0.71
3	A'	3041	3041	48.25	124.71	0.06	0.11
4	A'	1568	1568	4.57	22.66	0.74	0.85
5	A'	1524	1524	4.20	8.95	0.65	0.78
6	A'	1383	1383	18.51	7.55	0.72	0.84
7	A'	1082	1082	23.34	6.36	0.57	0.72
8	A'	990	990	89.47	5.90	0.30	0.47
9	A"	3102	3102	76.59	65.74	0.75	0.86
10	A"	1558	1558	4.02	24.27	0.75	0.86
11	A"	1168	1168	0.11	12.13	0.75	0.86
12	A"	344	344	173.25	6.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.685	0.000
O2	-0.046	-0.772	0.000
H3	-1.095	0.978	0.000
H4	0.438	1.099	0.894
H5	0.438	1.099	-0.894
H6	0.870	-1.109	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4576	1.0890	1.0970	1.0970	2.0149
O2	1.4576		2.0405	2.1291	2.1291	0.9761
H3	1.0890	2.0405		1.7784	1.7784	2.8667
H4	1.0970	2.1291	1.7784		1.7871	2.4208
H5	1.0970	2.1291	1.7784	1.7871		2.4208
H6	2.0149	0.9761	2.8667	2.4208	2.4208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.193	O2	C1	H3	105.587
O2	C1	H4	112.136	O2	C1	H5	112.136
H3	C1	H4	108.882	H3	C1	H5	108.882
H4	C1	H5	109.080

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

using model chemistry: B2PLYP/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	-0.158
2	O	-0.633
3	H	0.167
4	H	0.130
5	H	0.130
6	H	0.363

	x	y	z	Total
	1.698	1.265	0.000	2.117
CHELPG
AIM
ESP

	x	y	z
x	2.318	-0.192	0.001
y	-0.192	2.516	0.001
z	0.001	0.001	1.880

<r²>	24.202
(<r²>)^1/2	4.920

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

using model chemistry: B2PLYP/6-31G

States and conformations

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