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	hartrees
Energy at 0K	-115.016221
Energy at 298.15K	-115.020397
HF Energy	-115.016221
Nuclear repulsion energy	40.164849

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'	4081	3674	27.11	86.03	0.31	0.47
2	A'	3350	3016	50.22	68.36	0.55	0.71
3	A'	3204	2885	73.32	147.22	0.05	0.10
4	A'	1655	1491	6.51	18.79	0.75	0.86
5	A'	1618	1457	3.96	5.07	0.73	0.84
6	A'	1443	1300	30.70	7.24	0.66	0.79
7	A'	1137	1023	19.36	7.34	0.57	0.73
8	A'	1112	1002	147.86	11.90	0.27	0.42
9	A"	3274	2948	105.05	58.68	0.75	0.86
10	A"	1652	1487	5.83	20.63	0.75	0.86
11	A"	1258	1133	1.00	9.61	0.75	0.86
12	A"	324	291	216.45	4.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.045	0.679	0.000
O2	-0.045	-0.758	0.000
H3	-1.079	0.982	0.000
H4	0.441	1.075	0.885
H5	0.441	1.075	-0.885
H6	0.825	-1.143	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4364	1.0775	1.0848	1.0848	2.0191
O2	1.4364		2.0235	2.0929	2.0929	0.9517
H3	1.0775	2.0235		1.7613	1.7613	2.8532
H4	1.0848	2.0929	1.7613		1.7702	2.4195
H5	1.0848	2.0929	1.7613	1.7702		2.4195
H6	2.0191	0.9517	2.8532	2.4195	2.4195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	113.903	O2	C1	H3	106.329
O2	C1	H4	111.454	O2	C1	H5	111.454
H3	C1	H4	109.083	H3	C1	H5	109.083
H4	C1	H5	109.350

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

using model chemistry: HF/SDD

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	-0.302
2	O	-0.637
3	H	0.207
4	H	0.173
5	H	0.173
6	H	0.386

	x	y	z	Total
	1.857	1.443	0.000	2.352
CHELPG
AIM
ESP

	x	y	z
x	2.145	-0.187	0.000
y	-0.187	2.246	0.000
z	0.000	0.000	1.745

<r²>	23.786
(<r²>)^1/2	4.877

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

using model chemistry: HF/SDD

States and conformations

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