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	hartrees
Energy at 0K	-115.647787
Energy at 298.15K	-115.651904
HF Energy	-115.647787
Nuclear repulsion energy	40.427552

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'	3884	3735	35.19	74.34	0.18	0.31
2	A'	3131	3011	23.05	63.34	0.50	0.67
3	A'	3010	2895	62.54	176.19	0.02	0.05
4	A'	1505	1447	5.97	5.10	0.74	0.85
5	A'	1473	1417	2.56	1.18	0.18	0.31
6	A'	1371	1319	25.49	1.24	0.36	0.53
7	A'	1096	1055	23.68	6.76	0.25	0.39
8	A'	1060	1020	100.08	0.08	0.59	0.74
9	A"	3064	2947	51.37	66.13	0.75	0.86
10	A"	1493	1436	3.50	5.03	0.75	0.86
11	A"	1173	1128	0.35	0.83	0.75	0.86
12	A"	294	283	106.43	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.660	0.000
O2	-0.046	-0.753	0.000
H3	-1.088	0.976	0.000
H4	0.438	1.074	0.891
H5	0.438	1.074	-0.891
H6	0.861	-1.061	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4128	1.0891	1.0952	1.0952	1.9450
O2	1.4128		2.0190	2.0890	2.0890	0.9578
H3	1.0891	2.0190		1.7700	1.7700	2.8193
H4	1.0952	2.0890	1.7700		1.7821	2.3510
H5	1.0952	2.0890	1.7700	1.7821		2.3510
H6	1.9450	0.9578	2.8193	2.3510	2.3510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.745	O2	C1	H3	106.893
O2	C1	H4	112.186	O2	C1	H5	112.186
H3	C1	H4	108.259	H3	C1	H5	108.259
H4	C1	H5	108.898

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

using model chemistry: HSEh1PBE/aug-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	-0.466
2	O	-0.406
3	H	0.267
4	H	0.230
5	H	0.230
6	H	0.145

	x	y	z	Total
	1.351	0.907	0.000	1.628
CHELPG
AIM
ESP

	x	y	z
x	3.049	-0.088	0.000
y	-0.088	3.459	0.000
z	0.000	0.000	2.964

<r²>	23.608
(<r²>)^1/2	4.859

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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