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	hartrees
Energy at 0K	-115.737392
Energy at 298.15K	-115.741520
HF Energy	-115.737392
Nuclear repulsion energy	40.479675

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'	3898	3739	29.78	67.58	0.25	0.40
2	A'	3131	3004	28.33	68.46	0.51	0.68
3	A'	3009	2886	61.51	153.09	0.04	0.08
4	A'	1514	1452	4.28	9.75	0.73	0.84
5	A'	1483	1422	3.40	3.12	0.46	0.63
6	A'	1382	1326	27.16	1.57	0.74	0.85
7	A'	1105	1060	21.60	6.36	0.40	0.57
8	A'	1067	1023	100.61	0.18	0.74	0.85
9	A"	3059	2935	63.50	67.44	0.75	0.86
10	A"	1498	1437	2.41	10.30	0.75	0.86
11	A"	1178	1130	0.52	3.14	0.75	0.86
12	A"	301	288	111.77	2.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.658	0.000
O2	-0.046	-0.752	0.000
H3	-1.087	0.976	0.000
H4	0.436	1.076	0.889
H5	0.436	1.076	-0.889
H6	0.862	-1.054	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4101	1.0884	1.0949	1.0949	1.9373
O2	1.4101		2.0176	2.0898	2.0898	0.9567
H3	1.0884	2.0176		1.7668	1.7668	2.8138
H4	1.0949	2.0898	1.7668		1.7786	2.3470
H5	1.0949	2.0898	1.7668	1.7786		2.3470
H6	1.9373	0.9567	2.8138	2.3470	2.3470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.358	O2	C1	H3	107.005
O2	C1	H4	112.473	O2	C1	H5	112.473
H3	C1	H4	108.035	H3	C1	H5	108.035
H4	C1	H5	108.628

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

using model chemistry: mPW1PW91/cc-pVTZ

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	-0.041
2	O	-0.334
3	H	0.087
4	H	0.047
5	H	0.047
6	H	0.195

	x	y	z	Total
	1.352	0.853	0.000	1.599
CHELPG
AIM
ESP

	x	y	z
x	2.751	-0.118	0.000
y	-0.118	2.969	0.000
z	0.000	0.000	2.525

<r²>	23.414
(<r²>)^1/2	4.839

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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