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	hartrees
Energy at 0K	-115.776759
Energy at 298.15K	-115.780864
HF Energy	-115.776759
Nuclear repulsion energy	40.263802

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'	3829	3705	31.03	77.58	0.19	0.32
2	A'	3108	3007	24.45	66.55	0.47	0.64
3	A'	2993	2896	63.24	174.63	0.03	0.05
4	A'	1509	1460	5.38	5.17	0.74	0.85
5	A'	1478	1430	3.24	1.15	0.17	0.29
6	A'	1365	1321	24.42	1.35	0.38	0.55
7	A'	1077	1042	1.14	5.05	0.23	0.37
8	A'	1041	1007	121.50	2.46	0.30	0.46
9	A"	3038	2940	53.55	68.57	0.75	0.86
10	A"	1498	1450	2.96	5.11	0.75	0.86
11	A"	1171	1133	0.43	0.92	0.75	0.86
12	A"	290	280	105.42	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.666	0.000
O2	-0.046	-0.757	0.000
H3	-1.088	0.979	0.000
H4	0.438	1.077	0.891
H5	0.438	1.077	-0.891
H6	0.862	-1.070	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4227	1.0881	1.0942	1.0942	1.9591
O2	1.4227		2.0248	2.0953	2.0953	0.9607
H3	1.0881	2.0248		1.7703	1.7703	2.8289
H4	1.0942	2.0953	1.7703		1.7817	2.3624
H5	1.0942	2.0953	1.7703	1.7817		2.3624
H6	1.9591	0.9607	2.8289	2.3624	2.3624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.021	O2	C1	H3	106.738
O2	C1	H4	112.052	O2	C1	H5	112.052
H3	C1	H4	108.427	H3	C1	H5	108.427
H4	C1	H5	109.001

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	-0.458
2	O	-0.423
3	H	0.270
4	H	0.234
5	H	0.234
6	H	0.143

	x	y	z	Total
	1.350	0.956	0.000	1.654
CHELPG
AIM
ESP

	x	y	z
x	3.090	-0.090	0.000
y	-0.090	3.525	0.000
z	0.000	0.000	3.002

<r²>	23.823
(<r²>)^1/2	4.881

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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