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	hartrees
Energy at 0K	-115.697815
Energy at 298.15K	-115.701978
HF Energy	-115.697815
Nuclear repulsion energy	40.493312

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'	3906	3750	27.23	67.10	0.30	0.46
2	A'	3139	3014	33.45	73.86	0.53	0.69
3	A'	3005	2885	63.85	142.99	0.05	0.10
4	A'	1512	1452	3.85	14.45	0.72	0.84
5	A'	1491	1431	5.63	6.01	0.67	0.80
6	A'	1380	1325	25.62	2.32	0.74	0.85
7	A'	1108	1063	28.76	6.85	0.45	0.62
8	A'	1073	1030	94.49	0.53	0.72	0.84
9	A"	3056	2934	78.46	73.94	0.75	0.86
10	A"	1495	1436	2.69	15.19	0.75	0.86
11	A"	1175	1128	0.43	4.73	0.75	0.86
12	A"	331	317	125.85	2.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.656	0.000
O2	-0.046	-0.753	0.000
H3	-1.087	0.976	0.000
H4	0.435	1.078	0.890
H5	0.435	1.078	-0.890
H6	0.864	-1.046	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4090	1.0886	1.0959	1.0959	1.9306
O2	1.4090		2.0174	2.0916	2.0916	0.9564
H3	1.0886	2.0174		1.7660	1.7660	2.8096
H4	1.0959	2.0916	1.7660		1.7793	2.3426
H5	1.0959	2.0916	1.7660	1.7793		2.3426
H6	1.9306	0.9564	2.8096	2.3426	2.3426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.877	O2	C1	H3	107.058
O2	C1	H4	112.630	O2	C1	H5	112.630
H3	C1	H4	107.886	H3	C1	H5	107.886
H4	C1	H5	108.535

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

using model chemistry: B1B95/6-311G**

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	-0.152
2	O	-0.409
3	H	0.122
4	H	0.099
5	H	0.099
6	H	0.242

	x	y	z	Total
	1.436	0.933	0.000	1.712
CHELPG
AIM
ESP

	x	y	z
x	2.518	-0.139	0.000
y	-0.139	2.658	0.000
z	0.000	0.000	2.257

<r²>	23.361
(<r²>)^1/2	4.833

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

using model chemistry: B1B95/6-311G**

States and conformations

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