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	hartrees
Energy at 0K	-115.578429
Energy at 298.15K	-115.582573
HF Energy	-115.578429
Nuclear repulsion energy	40.035261

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'	3719	3668	9.40	80.74	0.28	0.44
2	A'	3059	3017	30.77	71.07	0.52	0.69
3	A'	2912	2872	69.03	129.43	0.06	0.11
4	A'	1479	1458	4.24	21.21	0.73	0.84
5	A'	1449	1429	6.34	10.75	0.67	0.80
6	A'	1351	1333	23.83	3.71	0.75	0.85
7	A'	1072	1058	8.30	6.64	0.45	0.62
8	A'	1032	1018	108.30	0.57	0.74	0.85
9	A"	2958	2918	82.52	73.22	0.75	0.86
10	A"	1457	1437	1.60	22.96	0.75	0.86
11	A"	1141	1125	0.10	8.27	0.75	0.86
12	A"	338	334	120.23	4.47	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	-1.101	0.978	0.000
H4	0.436	1.098	0.898
H5	0.436	1.098	-0.898
H6	0.885	-1.043	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4228	1.1012	1.1097	1.1097	1.9420
O2	1.4228		2.0349	2.1214	2.1214	0.9735
H3	1.1012	2.0349		1.7849	1.7849	2.8340
H4	1.1097	2.1214	1.7849		1.7960	2.3648
H5	1.1097	2.1214	1.7849	1.7960		2.3648
H6	1.9420	0.9735	2.8340	2.3648	2.3648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.771	O2	C1	H3	106.760
O2	C1	H4	113.216	O2	C1	H5	113.216
H3	C1	H4	107.664	H3	C1	H5	107.664
H4	C1	H5	108.042

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	-0.143
2	O	-0.503
3	H	0.135
4	H	0.103
5	H	0.103
6	H	0.305

	x	y	z	Total
	1.377	0.806	0.000	1.595
CHELPG
AIM
ESP

	x	y	z
x	2.504	-0.156	0.000
y	-0.156	2.671	0.000
z	0.000	0.000	2.182

<r²>	23.699
(<r²>)^1/2	4.868

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)