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	hartrees
Energy at 0K	-115.690795
Energy at 298.15K	-115.694889
HF Energy	-115.690795
Nuclear repulsion energy	39.724236

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'	3685	3665	17.61	75.74	0.25	0.40
2	A'	3053	3037	27.94	74.39	0.54	0.70
3	A'	2920	2905	75.17	143.07	0.04	0.08
4	A'	1470	1462	5.05	11.70	0.74	0.85
5	A'	1441	1433	7.72	4.89	0.71	0.83
6	A'	1319	1312	17.44	2.64	0.71	0.83
7	A'	1037	1032	11.20	5.51	0.41	0.59
8	A'	984	979	113.14	4.19	0.21	0.35
9	A"	2967	2952	68.29	90.89	0.75	0.86
10	A"	1459	1451	2.36	11.49	0.75	0.86
11	A"	1134	1128	0.03	3.88	0.75	0.86
12	A"	308	306	133.00	0.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.676	0.000
O2	-0.047	-0.768	0.000
H3	-1.103	0.982	0.000
H4	0.441	1.092	0.901
H5	0.441	1.092	-0.901
H6	0.879	-1.075	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4444	1.0992	1.1064	1.1064	1.9813
O2	1.4444		2.0443	2.1243	2.1243	0.9759
H3	1.0992	2.0443		1.7911	1.7911	2.8570
H4	1.1064	2.1243	1.7911		1.8027	2.3881
H5	1.1064	2.1243	1.7911	1.8027		2.3881
H6	1.9813	0.9759	2.8570	2.3881	2.3881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.342	O2	C1	H3	106.184
O2	C1	H4	112.098	O2	C1	H5	112.098
H3	C1	H4	108.602	H3	C1	H5	108.602
H4	C1	H5	109.112

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

using model chemistry: BLYP/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	-0.231
2	O	-0.504
3	H	0.150
4	H	0.127
5	H	0.127
6	H	0.331

	x	y	z	Total
	1.514	1.126	0.000	1.886
CHELPG
AIM
ESP

	x	y	z
x	2.732	-0.068	0.000
y	-0.068	3.140	0.000
z	0.000	0.000	2.677

<r²>	24.361
(<r²>)^1/2	4.936

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

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

States and conformations

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