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	hartrees
Energy at 0K	-115.683708
Energy at 298.15K	-115.687829
HF Energy	-115.683708
Nuclear repulsion energy	39.923810

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'	3675	3655	8.58	74.48	0.28	0.44
2	A'	3025	3008	32.02	67.83	0.50	0.67
3	A'	2895	2879	65.13	117.98	0.06	0.11
4	A'	1475	1467	3.35	16.92	0.73	0.84
5	A'	1447	1439	5.74	6.85	0.63	0.77
6	A'	1358	1351	23.25	3.17	0.72	0.83
7	A'	1059	1053	3.18	5.78	0.41	0.58
8	A'	1004	998	100.66	1.50	0.41	0.58
9	A"	2931	2915	79.39	68.02	0.75	0.86
10	A"	1454	1446	0.87	17.70	0.75	0.86
11	A"	1138	1132	0.56	6.56	0.75	0.86
12	A"	321	320	98.52	3.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.666	0.000
O2	-0.047	-0.765	0.000
H3	-1.102	0.981	0.000
H4	0.439	1.098	0.898
H5	0.439	1.098	-0.898
H6	0.882	-1.051	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4313	1.1006	1.1083	1.1083	1.9523
O2	1.4313		2.0400	2.1242	2.1242	0.9720
H3	1.1006	2.0400		1.7867	1.7867	2.8397
H4	1.1083	2.1242	1.7867		1.7957	2.3705
H5	1.1083	2.1242	1.7867	1.7957		2.3705
H6	1.9523	0.9720	2.8397	2.3705	2.3705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.096	O2	C1	H3	106.626
O2	C1	H4	112.918	O2	C1	H5	112.918
H3	C1	H4	107.968	H3	C1	H5	107.968
H4	C1	H5	108.218

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.211
2	O	-0.355
3	H	0.118
4	H	0.090
5	H	0.090
6	H	0.267

	x	y	z	Total
	1.261	0.737	0.000	1.461
CHELPG
AIM
ESP

	x	y	z
x	2.616	-0.163	0.000
y	-0.163	2.826	0.000
z	0.000	0.000	2.351

<r²>	23.816
(<r²>)^1/2	4.880

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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