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	hartrees
Energy at 0K	-115.712489
Energy at 298.15K
HF Energy	-115.712489
Nuclear repulsion energy	40.460972

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'	3923	3923	43.62	68.04	0.22	0.36
2	A'	3143	3143	21.19	57.58	0.51	0.67
3	A'	3031	3031	52.13	143.08	0.03	0.05
4	A'	1523	1523	5.64	5.48	0.75	0.85
5	A'	1490	1490	2.88	0.69	0.36	0.53
6	A'	1371	1371	27.60	1.29	0.64	0.78
7	A'	1115	1115	45.97	7.87	0.24	0.39
8	A'	1070	1070	78.36	0.09	0.60	0.75
9	A"	3083	3083	44.57	55.88	0.75	0.86
10	A"	1512	1512	3.67	5.23	0.75	0.86
11	A"	1185	1185	0.70	1.34	0.75	0.86
12	A"	284	284	111.77	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.660	0.000
O2	-0.046	-0.752	0.000
H3	-1.086	0.978	0.000
H4	0.439	1.070	0.890
H5	0.439	1.070	-0.890
H6	0.858	-1.066	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4116	1.0876	1.0931	1.0931	1.9486
O2	1.4116		2.0181	2.0843	2.0843	0.9577
H3	1.0876	2.0181		1.7681	1.7681	2.8211
H4	1.0931	2.0843	1.7681		1.7794	2.3513
H5	1.0931	2.0843	1.7681	1.7794		2.3513
H6	1.9486	0.9577	2.8211	2.3513	2.3513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.153	O2	C1	H3	106.987
O2	C1	H4	112.019	O2	C1	H5	112.019
H3	C1	H4	108.352	H3	C1	H5	108.352
H4	C1	H5	108.968

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.109
2	O	-0.588
3	H	0.156
4	H	0.156
5	H	0.156
6	H	0.229

	x	y	z	Total
	1.392	0.964	0.000	1.693
CHELPG
AIM
ESP

	x	y	z
x	2.861	-0.111	0.000
y	-0.111	3.227	0.000
z	0.000	0.000	2.748

<r²>	23.576
(<r²>)^1/2	4.856

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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