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	hartrees
Energy at 0K	-115.755374
Energy at 298.15K	-115.759536
HF Energy	-115.755374
Nuclear repulsion energy	40.209324

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'	3804	3804	16.27	72.55	0.30	0.46
2	A'	3110	3110	38.03	76.46	0.51	0.68
3	A'	2975	2975	68.70	146.85	0.06	0.11
4	A'	1520	1520	3.07	15.10	0.72	0.84
5	A'	1493	1493	7.72	5.63	0.61	0.76
6	A'	1383	1383	22.37	2.94	0.74	0.85
7	A'	1082	1082	0.81	6.10	0.45	0.62
8	A'	1047	1047	118.24	1.77	0.48	0.64
9	A"	3019	3019	89.46	78.02	0.75	0.86
10	A"	1505	1505	1.64	15.33	0.75	0.86
11	A"	1168	1168	0.53	5.76	0.75	0.86
12	A"	336	336	120.13	3.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.664	0.000
O2	-0.047	-0.759	0.000
H3	-1.093	0.974	0.000
H4	0.437	1.083	0.894
H5	0.437	1.083	-0.894
H6	0.873	-1.047	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4232	1.0910	1.0991	1.0991	1.9424
O2	1.4232		2.0245	2.1038	2.1038	0.9636
H3	1.0910	2.0245		1.7750	1.7750	2.8193
H4	1.0991	2.1038	1.7750		1.7871	2.3505
H5	1.0991	2.1038	1.7750	1.7871		2.3505
H6	1.9424	0.9636	2.8193	2.3505	2.3505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.373	O2	C1	H3	106.513
O2	C1	H4	112.406	O2	C1	H5	112.406
H3	C1	H4	108.279	H3	C1	H5	108.279
H4	C1	H5	108.782

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

using model chemistry: TPSSh/6-311G**

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	-0.113
2	O	-0.417
3	H	0.112
4	H	0.090
5	H	0.090
6	H	0.238

	x	y	z	Total
	1.416	0.952	0.000	1.706
CHELPG
AIM
ESP

	x	y	z
x	2.563	-0.143	0.000
y	-0.143	2.734	0.000
z	0.000	0.000	2.279

<r²>	23.586
(<r²>)^1/2	4.857

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

using model chemistry: TPSSh/6-311G**

States and conformations

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