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	hartrees
Energy at 0K	-115.671569
Energy at 298.15K	-115.675682
HF Energy	-115.671569
Nuclear repulsion energy	40.346384

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'	3919	3732	42.94	69.72	0.25	0.40
2	A'	3170	3018	25.49	72.49	0.56	0.72
3	A'	3037	2892	60.95	137.86	0.04	0.08
4	A'	1519	1446	4.95	13.13	0.75	0.86
5	A'	1491	1419	6.29	5.51	0.74	0.85
6	A'	1353	1288	23.89	2.22	0.74	0.85
7	A'	1119	1066	64.48	8.46	0.31	0.47
8	A'	1058	1007	74.77	1.24	0.70	0.82
9	A"	3097	2949	57.63	76.03	0.75	0.86
10	A"	1510	1438	2.98	13.45	0.75	0.86
11	A"	1180	1124	0.59	3.70	0.75	0.86
12	A"	293	279	147.20	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.662	0.000
O2	-0.046	-0.753	0.000
H3	-1.092	0.974	0.000
H4	0.439	1.074	0.894
H5	0.439	1.074	-0.894
H6	0.862	-1.070	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4152	1.0908	1.0970	1.0970	1.9561
O2	1.4152		2.0187	2.0908	2.0908	0.9619
H3	1.0908	2.0187		1.7750	1.7750	2.8275
H4	1.0970	2.0908	1.7750		1.7873	2.3612
H5	1.0970	2.0908	1.7750	1.7873		2.3612
H6	1.9561	0.9619	2.8275	2.3612	2.3612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.260	O2	C1	H3	106.608
O2	C1	H4	112.047	O2	C1	H5	112.047
H3	C1	H4	108.444	H3	C1	H5	108.444
H4	C1	H5	109.104

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

using model chemistry: M06-2X/6-31+G**

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	-0.237
2	O	-0.547
3	H	0.160
4	H	0.134
5	H	0.134
6	H	0.357

	x	y	z	Total
	1.564	1.101	0.000	1.913
CHELPG
AIM
ESP

	x	y	z
x	2.583	-0.082	0.000
y	-0.082	2.842	0.000
z	0.000	0.000	2.495

<r²>	23.690
(<r²>)^1/2	4.867

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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