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	hartrees
Energy at 0K	-115.687268
Energy at 298.15K	-115.691418
HF Energy	-115.687268
Nuclear repulsion energy	40.416201

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'	3872	3722	22.65	66.44	0.28	0.43
2	A'	3119	2999	29.47	65.83	0.55	0.71
3	A'	2986	2871	59.03	118.31	0.05	0.10
4	A'	1510	1451	3.47	15.68	0.73	0.85
5	A'	1482	1424	3.98	5.89	0.64	0.78
6	A'	1388	1335	27.27	2.31	0.73	0.84
7	A'	1109	1066	19.18	6.35	0.39	0.57
8	A'	1066	1025	94.93	0.47	0.75	0.86
9	A"	3037	2920	70.76	65.03	0.75	0.86
10	A"	1491	1433	1.72	16.56	0.75	0.86
11	A"	1176	1130	0.59	5.16	0.75	0.86
12	A"	323	311	109.05	2.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.656	0.000
O2	-0.046	-0.754	0.000
H3	-1.092	0.976	0.000
H4	0.437	1.083	0.892
H5	0.437	1.083	-0.892
H6	0.868	-1.045	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4092	1.0937	1.1007	1.1007	1.9308
O2	1.4092		2.0212	2.0980	2.0980	0.9594
H3	1.0937	2.0212		1.7734	1.7734	2.8153
H4	1.1007	2.0980	1.7734		1.7835	2.3471
H5	1.1007	2.0980	1.7734	1.7835		2.3471
H6	1.9308	0.9594	2.8153	2.3471	2.3471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.690	O2	C1	H3	107.041
O2	C1	H4	112.839	O2	C1	H5	112.839
H3	C1	H4	107.833	H3	C1	H5	107.833
H4	C1	H5	108.225

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.268
2	O	-0.431
3	H	0.152
4	H	0.122
5	H	0.122
6	H	0.304

	x	y	z	Total
	1.321	0.779	0.000	1.533
CHELPG
AIM
ESP

	x	y	z
x	2.536	-0.142	0.000
y	-0.142	2.698	0.000
z	0.000	0.000	2.315

<r²>	23.326
(<r²>)^1/2	4.830

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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