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	hartrees
Energy at 0K	-115.569159
Energy at 298.15K	-115.573311
HF Energy	-115.569159
Nuclear repulsion energy	40.008156

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'	3649	3596	7.65	81.23	0.30	0.46
2	A'	3064	3021	31.46	71.84	0.52	0.68
3	A'	2917	2875	70.26	126.38	0.06	0.12
4	A'	1495	1473	4.25	22.13	0.73	0.84
5	A'	1462	1441	6.49	10.96	0.66	0.79
6	A'	1367	1347	23.98	4.04	0.75	0.86
7	A'	1074	1059	5.18	6.80	0.46	0.63
8	A'	1038	1023	110.29	0.58	0.75	0.86
9	A"	2959	2917	86.06	74.19	0.75	0.86
10	A"	1475	1454	1.77	23.27	0.75	0.86
11	A"	1145	1129	0.11	9.02	0.75	0.86
12	A"	346	341	123.64	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	1.9437
O2	1.4232		2.0323	2.1208	2.1208	0.9771
H3	1.1019	2.0323		1.7884	1.7884	2.8349
H4	1.1106	2.1208	1.7884		1.7996	2.3639
H5	1.1106	2.1208	1.7884	1.7996		2.3639
H6	1.9437	0.9771	2.8349	2.3639	2.3639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.672	O2	C1	H3	106.499
O2	C1	H4	113.074	O2	C1	H5	113.074
H3	C1	H4	107.861	H3	C1	H5	107.861
H4	C1	H5	108.221

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

using model chemistry: PBEPBE/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: PBEPBE/6-31G*

States and conformations

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