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	hartrees
Energy at 0K	-115.075967
Energy at 298.15K	-115.080166
HF Energy	-115.075967
Nuclear repulsion energy	39.341683

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'	3452	3334	2.18	91.60	0.31	0.47
2	A'	3125	3018	30.82	76.04	0.48	0.65
3	A'	2980	2878	55.35	119.17	0.08	0.15
4	A'	1587	1532	4.47	26.07	0.74	0.85
5	A'	1520	1468	4.61	9.76	0.62	0.77
6	A'	1399	1351	19.56	7.53	0.75	0.86
7	A'	1074	1037	18.28	6.89	0.52	0.68
8	A'	979	945	73.07	2.83	0.34	0.51
9	A"	3015	2912	99.00	70.86	0.75	0.86
10	A"	1569	1515	2.56	27.75	0.75	0.86
11	A"	1145	1106	0.04	12.44	0.75	0.86
12	A"	387	374	138.00	7.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	0.685	0.000
O2	-0.048	-0.782	0.000
H3	-1.102	0.973	0.000
H4	0.429	1.119	0.894
H5	0.429	1.119	-0.894
H6	0.910	-1.065	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4661	1.0926	1.1019	1.1019	1.9946
O2	1.4661		2.0465	2.1535	2.1535	0.9984
H3	1.0926	2.0465		1.7782	1.7782	2.8632
H4	1.1019	2.1535	1.7782		1.7871	2.4085
H5	1.1019	2.1535	1.7782	1.7871		2.4085
H6	1.9946	0.9984	2.8632	2.4085	2.4085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	106.511	O2	C1	H3	105.285
O2	C1	H4	113.221	O2	C1	H5	113.221
H3	C1	H4	108.249	H3	C1	H5	108.249
H4	C1	H5	108.371

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

using model chemistry: TPSSh/3-21G*

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	-0.366
2	O	-0.549
3	H	0.222
4	H	0.179
5	H	0.179
6	H	0.336

	x	y	z	Total
	1.511	1.070	0.000	1.852
CHELPG
AIM
ESP

	x	y	z
x	2.278	-0.215	0.000
y	-0.215	2.459	0.000
z	0.000	0.000	1.809

<r²>	24.217
(<r²>)^1/2	4.921

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

using model chemistry: TPSSh/3-21G*

States and conformations

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