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	hartrees
Energy at 0K	-115.590312
Energy at 298.15K	-115.594479
HF Energy	-115.590312
Nuclear repulsion energy	40.374224

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'	3854	3705	28.26	72.80	0.29	0.45
2	A'	3139	3019	28.88	79.77	0.54	0.71
3	A'	2995	2879	62.91	150.80	0.05	0.10
4	A'	1488	1431	4.00	16.27	0.72	0.83
5	A'	1468	1412	7.47	6.77	0.63	0.77
6	A'	1383	1330	27.92	1.57	0.75	0.86
7	A'	1126	1082	50.75	5.77	0.49	0.65
8	A'	1072	1031	68.28	1.01	0.51	0.68
9	A"	3050	2933	76.32	81.52	0.75	0.86
10	A"	1468	1412	2.40	17.23	0.75	0.86
11	A"	1162	1118	0.50	4.62	0.75	0.86
12	A"	337	324	114.85	3.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.652	0.000
O2	-0.046	-0.753	0.000
H3	-1.097	0.977	0.000
H4	0.437	1.088	0.896
H5	0.437	1.088	-0.896
H6	0.873	-1.041	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4055	1.1000	1.1077	1.1077	1.9272
O2	1.4055		2.0244	2.1038	2.1038	0.9639
H3	1.1000	2.0244		1.7809	1.7809	2.8209
H4	1.1077	2.1038	1.7809		1.7925	2.3505
H5	1.1077	2.1038	1.7809	1.7925		2.3505
H6	1.9272	0.9639	2.8209	2.3505	2.3505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.383	O2	C1	H3	107.174
O2	C1	H4	113.141	O2	C1	H5	113.141
H3	C1	H4	107.542	H3	C1	H5	107.542
H4	C1	H5	108.019

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

using model chemistry: PBE1PBE/cc-pVDZ

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	0.036
2	O	-0.288
3	H	0.053
4	H	0.027
5	H	0.027
6	H	0.146

	x	y	z	Total
	1.356	0.781	0.000	1.565
CHELPG
AIM
ESP

	x	y	z
x	2.454	-0.145	0.000
y	-0.145	2.613	0.000
z	0.000	0.000	2.183

<r²>	23.392
(<r²>)^1/2	4.837

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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