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	hartrees
Energy at 0K	-115.728010
Energy at 298.15K	-115.732111
HF Energy	-115.728010
Nuclear repulsion energy	39.805524

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'	3668	3659	13.20	85.65	0.27	0.42
2	A'	3039	3032	29.71	78.72	0.48	0.65
3	A'	2910	2903	67.18	160.75	0.05	0.10
4	A'	1467	1463	4.11	16.48	0.71	0.83
5	A'	1446	1443	6.78	6.74	0.60	0.75
6	A'	1328	1325	17.72	3.66	0.75	0.86
7	A'	1044	1041	13.70	6.26	0.46	0.63
8	A'	973	971	101.62	3.36	0.45	0.62
9	A"	2950	2942	74.09	81.84	0.75	0.86
10	A"	1450	1446	1.55	18.64	0.75	0.86
11	A"	1129	1126	0.04	8.71	0.75	0.86
12	A"	310	309	127.49	2.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.674	0.000
O2	-0.047	-0.768	0.000
H3	-1.098	0.984	0.000
H4	0.439	1.093	0.897
H5	0.439	1.093	-0.897
H6	0.879	-1.068	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4422	1.0956	1.1033	1.1033	1.9724
O2	1.4422		2.0432	2.1229	2.1229	0.9731
H3	1.0956	2.0432		1.7829	1.7829	2.8490
H4	1.1033	2.1229	1.7829		1.7946	2.3809
H5	1.1033	2.1229	1.7829	1.7946		2.3809
H6	1.9724	0.9731	2.8490	2.3809	2.3809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.923	O2	C1	H3	106.448
O2	C1	H4	112.342	O2	C1	H5	112.342
H3	C1	H4	108.353	H3	C1	H5	108.353
H4	C1	H5	108.837

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

using model chemistry: BLYP/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	-0.194
2	O	-0.403
3	H	0.129
4	H	0.104
5	H	0.104
6	H	0.259

	x	y	z	Total
	1.464	1.049	0.000	1.801
CHELPG
AIM
ESP

	x	y	z
x	2.823	-0.121	0.000
y	-0.121	3.010	0.000
z	0.000	0.000	2.594

<r²>	24.213
(<r²>)^1/2	4.921

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

using model chemistry: BLYP/TZVP

States and conformations

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