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	hartrees
Energy at 0K	-115.621638
Energy at 298.15K	-115.625803
HF Energy	-115.621638
Nuclear repulsion energy	39.902956

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'	3716	3544	6.82	93.81	0.30	0.46
2	A'	3197	3049	26.02	72.54	0.55	0.71
3	A'	3040	2899	51.23	129.77	0.06	0.11
4	A'	1555	1483	5.40	23.31	0.74	0.85
5	A'	1518	1448	2.22	9.86	0.66	0.79
6	A'	1376	1312	19.14	6.34	0.72	0.84
7	A'	1088	1038	8.23	7.42	0.52	0.68
8	A'	1025	978	112.89	3.25	0.32	0.49
9	A"	3104	2961	77.13	68.22	0.75	0.86
10	A"	1545	1473	5.34	25.01	0.75	0.86
11	A"	1169	1115	0.00	11.19	0.75	0.86
12	A"	346	330	180.25	6.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.676	0.000
O2	-0.046	-0.764	0.000
H3	-1.092	0.975	0.000
H4	0.435	1.094	0.891
H5	0.435	1.094	-0.891
H6	0.864	-1.105	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4399	1.0876	1.0957	1.0957	2.0000
O2	1.4399		2.0291	2.1165	2.1165	0.9721
H3	1.0876	2.0291		1.7717	1.7717	2.8551
H4	1.0957	2.1165	1.7717		1.7821	2.4116
H5	1.0957	2.1165	1.7717	1.7821		2.4116
H6	2.0000	0.9721	2.8551	2.4116	2.4116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.525	O2	C1	H3	105.956
O2	C1	H4	112.461	O2	C1	H5	112.461
H3	C1	H4	108.482	H3	C1	H5	108.482
H4	C1	H5	108.827

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

using model chemistry: B1B95/6-31G

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	-0.215
2	O	-0.629
3	H	0.184
4	H	0.145
5	H	0.145
6	H	0.369

	x	y	z	Total
	1.707	1.208	0.000	2.091
CHELPG
AIM
ESP

	x	y	z
x	2.301	-0.184	0.000
y	-0.184	2.487	0.000
z	0.000	0.000	1.890

<r²>	23.850
(<r²>)^1/2	4.884

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

using model chemistry: B1B95/6-31G

States and conformations

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