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	hartrees
Energy at 0K	-114.151687
Energy at 298.15K	-114.155853
HF Energy	-114.151687
Nuclear repulsion energy	39.242227

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'	3738	3308	37.09	37.92	0.29	0.45
2	A'	3450	3053	2.06	29.27	0.68	0.81
3	A'	3239	2866	16.44	41.25	0.03	0.06
4	A'	1689	1495	3.22	17.02	0.75	0.86
5	A'	1611	1426	1.19	3.69	0.75	0.86
6	A'	1589	1406	11.20	9.32	0.69	0.82
7	A'	1169	1035	0.53	6.17	0.39	0.56
8	A'	1092	967	22.39	0.45	0.69	0.81
9	A"	3376	2988	17.67	28.42	0.75	0.86
10	A"	1665	1474	3.41	16.03	0.75	0.86
11	A"	1188	1051	0.82	4.71	0.75	0.86
12	A"	408	361	64.43	6.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.051	0.675	0.000
O2	-0.051	-0.785	0.000
H3	-1.109	0.996	0.000
H4	0.437	1.113	0.898
H5	0.437	1.113	-0.898
H6	0.954	-0.985	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4600	1.1054	1.1120	1.1120	1.9404
O2	1.4600		2.0714	2.1558	2.1558	1.0247
H3	1.1054	2.0714		1.7920	1.7920	2.8599
H4	1.1120	2.1558	1.7920		1.7953	2.3397
H5	1.1120	2.1558	1.7920	1.7953		2.3397
H6	1.9404	1.0247	2.8599	2.3397	2.3397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	101.252	O2	C1	H3	106.882
O2	C1	H4	113.203	O2	C1	H5	113.203
H3	C1	H4	107.830	H3	C1	H5	107.830
H4	C1	H5	107.647

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

using model chemistry: B3PW91/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	-0.148
2	O	-0.242
3	H	0.084
4	H	0.068
5	H	0.068
6	H	0.170

	x	y	z	Total
	1.161	0.757	0.000	1.386
CHELPG
AIM
ESP

	x	y	z
x	1.373	-0.250	0.000
y	-0.250	1.463	0.000
z	0.000	0.000	0.866

<r²>	23.675
(<r²>)^1/2	4.866

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

using model chemistry: B3PW91/STO-3G

States and conformations

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