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	hartrees
Energy at 0K	-115.188124
Energy at 298.15K	-115.192212
HF Energy	-115.188124
Nuclear repulsion energy	40.403100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3719	37.54
2	A'	3046	3017	14.07
3	A'	2916	2889	62.71
4	A'	1436	1422	7.29
5	A'	1404	1391	1.10
6	A'	1310	1298	21.54
7	A'	1097	1086	52.88
8	A'	1021	1012	76.46
9	A"	2970	2942	41.34
10	A"	1420	1407	4.52
11	A"	1127	1116	0.01
12	A"	290	287	108.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.654	0.000
O2	-0.046	-0.749	0.000
H3	-1.096	0.975	0.000
H4	0.438	1.080	0.897
H5	0.438	1.080	-0.897
H6	0.870	-1.064	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4032	1.0980	1.1047	1.1047	1.9477
O2	1.4032		2.0187	2.0938	2.0938	0.9694
H3	1.0980	2.0187		1.7803	1.7803	2.8332
H4	1.1047	2.0938	1.7803		1.7944	2.3642
H5	1.1047	2.0938	1.7803	1.7944		2.3642
H6	1.9477	0.9694	2.8332	2.3642	2.3642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.979	O2	C1	H3	106.992
O2	C1	H4	112.664	O2	C1	H5	112.664
H3	C1	H4	107.843	H3	C1	H5	107.843
H4	C1	H5	108.610

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

using model chemistry: LSDA/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	-0.472
2	O	-0.384
3	H	0.267
4	H	0.221
5	H	0.221
6	H	0.147

	x	y	z	Total
	1.357	0.832	0.000	1.592
CHELPG
AIM
ESP

	x	y	z
x	3.237	-0.086	0.000
y	-0.086	3.673	0.000
z	0.000	0.000	3.171

<r²>	23.729
(<r²>)^1/2	4.871

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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