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	hartrees
Energy at 0K	-115.569157
Energy at 298.15K	-115.573312
HF Energy	-115.569157
Nuclear repulsion energy	40.008221

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'	3648	3588	7.64	81.24	0.30	0.46
2	A'	3064	3013	31.48	71.76	0.52	0.69
3	A'	2917	2869	70.23	126.43	0.06	0.12
4	A'	1495	1470	4.29	22.10	0.73	0.84
5	A'	1462	1438	6.44	10.95	0.66	0.79
6	A'	1367	1344	23.92	4.09	0.75	0.86
7	A'	1074	1057	5.43	6.80	0.46	0.63
8	A'	1037	1020	110.14	0.58	0.75	0.86
9	A"	2960	2911	86.06	74.20	0.75	0.86
10	A"	1475	1450	1.76	23.29	0.75	0.86
11	A"	1146	1127	0.11	9.01	0.75	0.86
12	A"	349	343	123.67	4.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.661	0.000
O2	-0.047	-0.762	0.000
H3	-1.104	0.974	0.000
H4	0.437	1.097	0.900
H5	0.437	1.097	-0.900
H6	0.889	-1.042	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4232	1.1019	1.1106	1.1106	1.9438
O2	1.4232		2.0324	2.1208	2.1208	0.9771
H3	1.1019	2.0324		1.7884	1.7884	2.8349
H4	1.1106	2.1208	1.7884		1.7996	2.3640
H5	1.1106	2.1208	1.7884	1.7996		2.3640
H6	1.9438	0.9771	2.8349	2.3640	2.3640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.679	O2	C1	H3	106.503
O2	C1	H4	113.072	O2	C1	H5	113.072
H3	C1	H4	107.862	H3	C1	H5	107.862
H4	C1	H5	108.219

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.267
2	O	-0.573
3	H	0.173
4	H	0.140
5	H	0.140
6	H	0.386

	x	y	z	Total
	1.404	0.822	0.000	1.627
CHELPG
AIM
ESP

	x	y	z
x	2.465	-0.151	0.000
y	-0.151	2.615	0.000
z	0.000	0.000	2.139

<r²>	23.714
(<r²>)^1/2	4.870

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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