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	hartrees
Energy at 0K	-115.123398
Energy at 298.15K	-115.127569
HF Energy	-115.123398
Nuclear repulsion energy	40.373024

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'	3692	3622	16.43	84.97	0.29	0.45
2	A'	3065	3007	23.23	73.90	0.52	0.69
3	A'	2914	2858	67.95	130.04	0.06	0.11
4	A'	1480	1452	5.21	22.75	0.72	0.83
5	A'	1450	1422	3.58	13.12	0.68	0.81
6	A'	1348	1322	25.71	3.58	0.75	0.85
7	A'	1129	1108	55.19	4.47	0.51	0.67
8	A'	1048	1028	77.36	2.27	0.51	0.68
9	A"	2959	2902	74.25	77.39	0.75	0.86
10	A"	1456	1429	3.25	25.54	0.75	0.86
11	A"	1147	1125	0.00	8.10	0.75	0.86
12	A"	357	351	138.96	4.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.649	0.000
O2	-0.047	-0.750	0.000
H3	-1.101	0.970	0.000
H4	0.435	1.093	0.899
H5	0.435	1.093	-0.899
H6	0.883	-1.046	0.000

	C1	O2	H3	H4	H5	H6
C1		1.3987	1.1028	1.1119	1.1119	1.9331
O2	1.3987		2.0179	2.1060	2.1060	0.9757
H3	1.1028	2.0179		1.7838	1.7838	2.8292
H4	1.1119	2.1060	1.7838		1.7971	2.3630
H5	1.1119	2.1060	1.7838	1.7971		2.3630
H6	1.9331	0.9757	2.8292	2.3630	2.3630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.669	O2	C1	H3	106.957
O2	C1	H4	113.547	O2	C1	H5	113.547
H3	C1	H4	107.305	H3	C1	H5	107.305
H4	C1	H5	107.830

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

using model chemistry: SVWN/6-31G*

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	-0.331
2	O	-0.573
3	H	0.191
4	H	0.154
5	H	0.154
6	H	0.405

	x	y	z	Total
	1.462	0.766	0.000	1.650
CHELPG
AIM
ESP

	x	y	z
x	2.468	-0.150	0.000
y	-0.150	2.593	0.000
z	0.000	0.000	2.170

<r²>	23.436
(<r²>)^1/2	4.841

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

using model chemistry: SVWN/6-31G*

States and conformations

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