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	hartrees
Energy at 0K	-115.597804
Energy at 298.15K	-115.601947
HF Energy	-115.597804
Nuclear repulsion energy	40.363565

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'	3909	3734	34.69	68.07	0.25	0.40
2	A'	3161	3020	24.49	70.62	0.58	0.73
3	A'	3023	2888	67.86	138.88	0.04	0.08
4	A'	1512	1444	5.49	12.45	0.74	0.85
5	A'	1485	1418	5.64	5.32	0.72	0.84
6	A'	1362	1301	23.39	2.05	0.73	0.84
7	A'	1106	1056	46.71	7.96	0.32	0.49
8	A'	1064	1016	89.01	0.75	0.74	0.85
9	A"	3084	2946	59.90	80.41	0.75	0.86
10	A"	1500	1433	3.38	12.56	0.75	0.86
11	A"	1178	1125	0.17	3.35	0.75	0.86
12	A"	320	306	144.20	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.660	0.000
O2	-0.046	-0.753	0.000
H3	-1.092	0.973	0.000
H4	0.438	1.077	0.894
H5	0.438	1.077	-0.894
H6	0.863	-1.064	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4133	1.0920	1.0987	1.0987	1.9496
O2	1.4133		2.0186	2.0933	2.0933	0.9611
H3	1.0920	2.0186		1.7753	1.7753	2.8241
H4	1.0987	2.0933	1.7753		1.7881	2.3588
H5	1.0987	2.0933	1.7753	1.7881		2.3588
H6	1.9496	0.9611	2.8241	2.3588	2.3588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.897	O2	C1	H3	106.660
O2	C1	H4	112.279	O2	C1	H5	112.279
H3	C1	H4	108.266	H3	C1	H5	108.266
H4	C1	H5	108.921

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

using model chemistry: PBE1PBE/6-31+G**

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	-0.282
2	O	-0.522
3	H	0.169
4	H	0.144
5	H	0.144
6	H	0.348

	x	y	z	Total
	1.546	1.083	0.000	1.888
CHELPG
AIM
ESP

	x	y	z
x	2.582	-0.073	0.000
y	-0.073	2.870	0.000
z	0.000	0.000	2.515

<r²>	23.665
(<r²>)^1/2	4.865

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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