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	hartrees
Energy at 0K	-115.770991
Energy at 298.15K	-115.775124
HF Energy	-115.770991
Nuclear repulsion energy	40.229009

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'	3822	3689	23.35	77.82	0.27	0.43
2	A'	3115	3008	29.23	75.12	0.50	0.67
3	A'	2990	2886	63.03	153.72	0.05	0.10
4	A'	1507	1455	4.57	14.89	0.71	0.83
5	A'	1488	1437	6.04	6.30	0.65	0.79
6	A'	1362	1315	21.02	3.25	0.74	0.85
7	A'	1076	1039	2.44	7.10	0.47	0.64
8	A'	1040	1004	123.07	2.20	0.43	0.60
9	A"	3035	2930	69.72	74.66	0.75	0.86
10	A"	1492	1440	2.15	17.21	0.75	0.86
11	A"	1170	1129	0.24	7.05	0.75	0.86
12	A"	315	304	135.22	2.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.665	0.000
O2	-0.047	-0.758	0.000
H3	-1.089	0.980	0.000
H4	0.437	1.081	0.891
H5	0.437	1.081	-0.891
H6	0.865	-1.066	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4230	1.0892	1.0963	1.0963	1.9561
O2	1.4230		2.0265	2.1003	2.1003	0.9624
H3	1.0892	2.0265		1.7708	1.7708	2.8291
H4	1.0963	2.1003	1.7708		1.7826	2.3635
H5	1.0963	2.1003	1.7708	1.7826		2.3635
H6	1.9561	0.9624	2.8291	2.3635	2.3635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.638	O2	C1	H3	106.792
O2	C1	H4	112.314	O2	C1	H5	112.314
H3	C1	H4	108.237	H3	C1	H5	108.237
H4	C1	H5	108.778

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

using model chemistry: B3LYP/TZVP

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	-0.179
2	O	-0.417
3	H	0.126
4	H	0.101
5	H	0.101
6	H	0.266

	x	y	z	Total
	1.499	1.060	0.000	1.836
CHELPG
AIM
ESP

	x	y	z
x	2.704	-0.118	0.000
y	-0.118	2.845	0.000
z	0.000	0.000	2.493

<r²>	23.784
(<r²>)^1/2	4.877

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

using model chemistry: B3LYP/TZVP

States and conformations

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