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	hartrees
Energy at 0K	-115.579175
Energy at 298.15K	-115.583361
HF Energy	-115.579175
Nuclear repulsion energy	40.414016

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'	3828	3648	18.66	75.63	0.30	0.46
2	A'	3161	3013	31.19	70.30	0.54	0.70
3	A'	3019	2878	62.36	122.52	0.06	0.11
4	A'	1543	1471	4.07	20.52	0.73	0.85
5	A'	1512	1441	5.98	9.47	0.67	0.80
6	A'	1407	1341	29.55	3.52	0.75	0.86
7	A'	1128	1075	37.59	6.62	0.45	0.62
8	A'	1084	1033	87.21	1.11	0.69	0.81
9	A"	3070	2926	79.21	69.00	0.75	0.86
10	A"	1526	1455	2.24	21.87	0.75	0.86
11	A"	1189	1133	0.42	7.64	0.75	0.86
12	A"	349	333	133.82	3.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.655	0.000
O2	-0.047	-0.753	0.000
H3	-1.093	0.971	0.000
H4	0.436	1.082	0.893
H5	0.436	1.082	-0.893
H6	0.873	-1.045	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4078	1.0932	1.1010	1.1010	1.9327
O2	1.4078		2.0168	2.0967	2.0967	0.9648
H3	1.0932	2.0168		1.7742	1.7742	2.8161
H4	1.1010	2.0967	1.7742		1.7853	2.3475
H5	1.1010	2.0967	1.7742	1.7853		2.3475
H6	1.9327	0.9648	2.8161	2.3475	2.3475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.623	O2	C1	H3	106.818
O2	C1	H4	112.811	O2	C1	H5	112.811
H3	C1	H4	107.918	H3	C1	H5	107.918
H4	C1	H5	108.340

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

using model chemistry: PBE1PBE/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	-0.276
2	O	-0.620
3	H	0.186
4	H	0.152
5	H	0.152
6	H	0.407

	x	y	z	Total
	1.460	0.893	0.000	1.712
CHELPG
AIM
ESP

	x	y	z
x	2.376	-0.145	0.000
y	-0.145	2.475	0.000
z	0.000	0.000	2.082

<r²>	23.364
(<r²>)^1/2	4.834

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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