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	hartrees
Energy at 0K	-115.768467
Energy at 298.15K	-115.772610
HF Energy	-115.768467
Nuclear repulsion energy	40.179076

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'	3796	3658	18.52	79.51	0.27	0.43
2	A'	3118	3004	31.83	74.88	0.51	0.67
3	A'	2986	2877	65.87	155.26	0.05	0.10
4	A'	1517	1462	3.63	15.54	0.72	0.84
5	A'	1491	1437	8.42	5.98	0.60	0.75
6	A'	1367	1318	18.80	3.59	0.74	0.85
7	A'	1073	1034	1.47	7.39	0.46	0.63
8	A'	1034	997	122.66	1.96	0.41	0.58
9	A"	3033	2923	76.21	76.45	0.75	0.86
10	A"	1503	1448	1.41	17.12	0.75	0.86
11	A"	1169	1126	0.32	7.52	0.75	0.86
12	A"	323	311	131.08	2.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.666	0.000
O2	-0.047	-0.759	0.000
H3	-1.092	0.976	0.000
H4	0.438	1.080	0.893
H5	0.438	1.080	-0.893
H6	0.870	-1.060	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4255	1.0898	1.0974	1.0974	1.9543
O2	1.4255		2.0255	2.1017	2.1017	0.9647
H3	1.0898	2.0255		1.7747	1.7747	2.8269
H4	1.0974	2.1017	1.7747		1.7857	2.3587
H5	1.0974	2.1017	1.7747	1.7857		2.3587
H6	1.9543	0.9647	2.8269	2.3587	2.3587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.149	O2	C1	H3	106.505
O2	C1	H4	112.175	O2	C1	H5	112.175
H3	C1	H4	108.467	H3	C1	H5	108.467
H4	C1	H5	108.905

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

using model chemistry: TPSSh/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	-0.156
2	O	-0.415
3	H	0.119
4	H	0.093
5	H	0.093
6	H	0.266

	x	y	z	Total
	1.482	1.052	0.000	1.817
CHELPG
AIM
ESP

	x	y	z
x	2.697	-0.116	0.000
y	-0.116	2.861	0.000
z	0.000	0.000	2.482

<r²>	23.733
(<r²>)^1/2	4.872

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

using model chemistry: TPSSh/TZVP

States and conformations

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