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	hartrees
Energy at 0K	-115.708433
Energy at 298.15K	-115.712561
HF Energy	-115.708433
Nuclear repulsion energy	39.508976

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'	3701	3557	5.67	89.34	0.29	0.46
2	A'	3169	3046	37.06	64.65	0.54	0.70
3	A'	3012	2895	69.81	138.47	0.04	0.08
4	A'	1517	1458	7.62	19.19	0.75	0.85
5	A'	1495	1437	1.32	6.88	0.75	0.86
6	A'	1338	1286	18.57	7.13	0.73	0.84
7	A'	1065	1023	19.85	7.57	0.51	0.67
8	A'	992	954	102.28	7.06	0.25	0.40
9	A"	3085	2965	92.03	59.03	0.75	0.86
10	A"	1510	1451	7.36	20.59	0.75	0.86
11	A"	1141	1096	0.27	10.53	0.75	0.86
12	A"	330	317	178.72	5.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.686	0.000
O2	-0.046	-0.773	0.000
H3	-1.098	0.984	0.000
H4	0.439	1.101	0.897
H5	0.439	1.101	-0.897
H6	0.869	-1.121	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4595	1.0926	1.1011	1.1011	2.0260
O2	1.4595		2.0476	2.1339	2.1339	0.9793
H3	1.0926	2.0476		1.7830	1.7830	2.8808
H4	1.1011	2.1339	1.7830		1.7944	2.4348
H5	1.1011	2.1339	1.7830	1.7944		2.4348
H6	2.0260	0.9793	2.8808	2.4348	2.4348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.804	O2	C1	H3	105.807
O2	C1	H4	112.133	O2	C1	H5	112.133
H3	C1	H4	108.740	H3	C1	H5	108.740
H4	C1	H5	109.142

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

using model chemistry: B3LYP/LANL2DZ

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	-0.453
2	O	-0.503
3	H	0.228
4	H	0.192
5	H	0.192
6	H	0.343

	x	y	z	Total
	1.744	1.349	0.000	2.205
CHELPG
AIM
ESP

	x	y	z
x	2.304	-0.189	0.000
y	-0.189	2.446	0.000
z	0.000	0.000	1.821

<r²>	24.193
(<r²>)^1/2	4.919

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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