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	hartrees
Energy at 0K	-115.700802
Energy at 298.15K	-115.704945
HF Energy	-115.700802
Nuclear repulsion energy	40.374174

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'	3913	3724	34.38	67.88	0.25	0.40
2	A'	3167	3014	25.43	70.85	0.58	0.73
3	A'	3029	2883	68.48	139.30	0.04	0.08
4	A'	1519	1445	5.47	12.36	0.74	0.85
5	A'	1491	1419	5.70	5.18	0.72	0.84
6	A'	1365	1299	23.42	2.10	0.74	0.85
7	A'	1103	1049	40.79	8.17	0.33	0.50
8	A'	1066	1014	95.30	0.60	0.75	0.85
9	A"	3090	2941	61.45	80.49	0.75	0.86
10	A"	1507	1434	3.31	12.50	0.75	0.86
11	A"	1182	1125	0.21	3.40	0.75	0.86
12	A"	319	304	144.45	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.661	0.000
O2	-0.046	-0.753	0.000
H3	-1.091	0.973	0.000
H4	0.438	1.076	0.893
H5	0.438	1.076	-0.893
H6	0.862	-1.065	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4139	1.0905	1.0972	1.0972	1.9506
O2	1.4139		2.0179	2.0921	2.0921	0.9603
H3	1.0905	2.0179		1.7734	1.7734	2.8231
H4	1.0972	2.0921	1.7734		1.7859	2.3585
H5	1.0972	2.0921	1.7734	1.7859		2.3585
H6	1.9506	0.9603	2.8231	2.3585	2.3585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.981	O2	C1	H3	106.646
O2	C1	H4	112.229	O2	C1	H5	112.229
H3	C1	H4	108.311	H3	C1	H5	108.311
H4	C1	H5	108.951

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

using model chemistry: mPW1PW91/6-31+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	-0.281
2	O	-0.522
3	H	0.168
4	H	0.143
5	H	0.143
6	H	0.349

	x	y	z	Total
	1.548	1.097	0.000	1.897
CHELPG
AIM
ESP

	x	y	z
x	2.570	-0.073	0.000
y	-0.073	2.859	0.000
z	0.000	0.000	2.499

<r²>	23.634
(<r²>)^1/2	4.862

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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