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	hartrees
Energy at 0K	-115.708835
Energy at 298.15K
HF Energy	-115.708835
Nuclear repulsion energy	40.089217

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'	3754	3754	21.66	83.47	0.18	0.31
2	A'	3060	3060	28.88	69.87	0.48	0.65
3	A'	2933	2933	73.40	185.10	0.03	0.05
4	A'	1478	1478	4.63	5.52	0.73	0.85
5	A'	1445	1445	4.05	1.32	0.18	0.31
6	A'	1346	1346	21.55	1.63	0.27	0.42
7	A'	1058	1058	3.36	4.36	0.20	0.34
8	A'	1004	1004	116.10	2.59	0.28	0.43
9	A"	2980	2980	63.70	77.83	0.75	0.86
10	A"	1465	1465	2.20	5.43	0.75	0.86
11	A"	1145	1145	0.26	0.91	0.75	0.86
12	A"	289	289	99.58	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.669	0.000
O2	-0.047	-0.762	0.000
H3	-1.094	0.981	0.000
H4	0.440	1.082	0.895
H5	0.440	1.082	-0.895
H6	0.870	-1.062	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4302	1.0928	1.0996	1.0996	1.9581
O2	1.4302		2.0329	2.1065	2.1065	0.9643
H3	1.0928	2.0329		1.7791	1.7791	2.8333
H4	1.0996	2.1065	1.7791		1.7902	2.3625
H5	1.0996	2.1065	1.7791	1.7902		2.3625
H6	1.9581	0.9643	2.8333	2.3625	2.3625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.136	O2	C1	H3	106.596
O2	C1	H4	112.080	O2	C1	H5	112.080
H3	C1	H4	108.481	H3	C1	H5	108.481
H4	C1	H5	108.981

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

using model chemistry: B97D3/daug-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	-0.420
2	O	-0.798
3	H	0.382
4	H	0.311
5	H	0.311
6	H	0.213

	x	y	z	Total
	1.310	0.913	0.000	1.597
CHELPG
AIM
ESP

	x	y	z
x	3.200	-0.079	0.000
y	-0.079	3.677	0.000
z	0.000	0.000	3.148

<r²>	23.928
(<r²>)^1/2	4.892

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

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

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