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	hartrees
Energy at 0K	-115.684084
Energy at 298.15K	-115.688195
HF Energy	-115.684084
Nuclear repulsion energy	40.283323

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'	3904	3904	42.65	67.60	0.18	0.31
2	A'	3168	3168	23.48	65.07	0.47	0.64
3	A'	3033	3033	57.04	171.83	0.03	0.05
4	A'	1479	1479	6.29	5.20	0.75	0.86
5	A'	1455	1455	3.18	1.08	0.19	0.32
6	A'	1363	1363	27.89	0.94	0.48	0.65
7	A'	1114	1114	55.91	7.41	0.26	0.41
8	A'	1060	1060	61.54	0.18	0.22	0.36
9	A"	3094	3094	48.42	63.13	0.75	0.86
10	A"	1475	1475	3.87	4.96	0.75	0.86
11	A"	1163	1163	0.39	0.88	0.75	0.86
12	A"	291	291	109.92	0.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.663	0.000
O2	-0.046	-0.755	0.000
H3	-1.095	0.976	0.000
H4	0.441	1.074	0.897
H5	0.441	1.074	-0.897
H6	0.864	-1.064	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4175	1.0946	1.1002	1.1002	1.9522
O2	1.4175		2.0235	2.0939	2.0939	0.9613
H3	1.0946	2.0235		1.7814	1.7814	2.8283
H4	1.1002	2.0939	1.7814		1.7938	2.3567
H5	1.1002	2.0939	1.7814	1.7938		2.3567
H6	1.9522	0.9613	2.8283	2.3567	2.3567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.787	O2	C1	H3	106.613
O2	C1	H4	111.929	O2	C1	H5	111.929
H3	C1	H4	108.511	H3	C1	H5	108.511
H4	C1	H5	109.209

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	1.085
2	O	-0.401
3	H	-0.306
4	H	-0.240
5	H	-0.240
6	H	0.102

	x	y	z	Total
	1.366	0.958	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	3.002	-0.093	0.000
y	-0.093	3.384	0.000
z	0.000	0.000	2.901

<r²>	23.730
(<r²>)^1/2	4.871

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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