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	hartrees
Energy at 0K	-114.118907
Energy at 298.15K	-114.123032
HF Energy	-114.118907
Nuclear repulsion energy	38.643016

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'	3484	3224	53.53	36.25	0.28	0.44
2	A'	3315	3067	3.56	32.52	0.65	0.79
3	A'	3097	2866	23.95	45.82	0.03	0.06
4	A'	1639	1517	3.15	17.40	0.75	0.86
5	A'	1554	1438	3.68	5.20	0.74	0.85
6	A'	1538	1423	7.58	9.36	0.66	0.80
7	A'	1099	1017	1.11	5.90	0.42	0.59
8	A'	1028	951	19.54	0.58	0.34	0.51
9	A"	3219	2978	27.91	31.65	0.75	0.86
10	A"	1614	1493	2.37	16.18	0.75	0.86
11	A"	1134	1050	0.43	5.43	0.75	0.86
12	A"	403	373	54.53	6.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.052	0.687	0.000
O2	-0.052	-0.800	0.000
H3	-1.121	1.002	0.000
H4	0.440	1.131	0.906
H5	0.440	1.131	-0.906
H6	0.976	-0.991	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4872	1.1143	1.1226	1.1226	1.9683
O2	1.4872		2.0951	2.1890	2.1890	1.0457
H3	1.1143	2.0951		1.8096	1.8096	2.8931
H4	1.1226	2.1890	1.8096		1.8121	2.3690
H5	1.1226	2.1890	1.8096	1.8121		2.3690
H6	1.9683	1.0457	2.8931	2.3690	2.3690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	100.546	O2	C1	H3	106.408
O2	C1	H4	113.284	O2	C1	H5	113.284
H3	C1	H4	107.997	H3	C1	H5	107.997
H4	C1	H5	107.636

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

using model chemistry: BLYP/STO-3G

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	-0.137
2	O	-0.217
3	H	0.077
4	H	0.062
5	H	0.062
6	H	0.154

	x	y	z	Total
	1.076	0.699	0.000	1.283
CHELPG
AIM
ESP

	x	y	z
x	1.438	-0.259	0.000
y	-0.259	1.571	0.000
z	0.000	0.000	0.900

<r²>	24.199
(<r²>)^1/2	4.919

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

using model chemistry: BLYP/STO-3G

States and conformations

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