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	hartrees
Energy at 0K	-214.908360
Energy at 298.15K
HF Energy	-214.908360
Nuclear repulsion energy	77.993089

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	3571	3543	10.40	87.42	0.31	0.47
2	A	3033	3008	54.80	78.03	0.43	0.60
3	A	2931	2907	86.66	95.39	0.18	0.31
4	A	1512	1499	2.89	10.91	0.72	0.84
5	A	1436	1424	53.53	9.34	0.75	0.86
6	A	1379	1367	14.50	7.37	0.75	0.85
7	A	1229	1219	5.63	10.87	0.72	0.83
8	A	1087	1079	77.10	4.80	0.26	0.42
9	A	1043	1034	137.15	1.44	0.55	0.71
10	A	974	966	128.30	3.55	0.48	0.65
11	A	520	516	42.55	2.33	0.64	0.78
12	A	387	383	103.20	6.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.513	0.050
F2	1.153	-0.310	-0.030
O3	-1.165	-0.217	-0.118
H4	0.066	1.027	1.030
H5	0.048	1.238	-0.779
H6	-1.258	-0.814	0.657

	C1	F2	O3	H4	H5	H6
C1		1.4064	1.3976	1.1080	1.1014	1.9363
F2	1.4064		2.3212	2.0229	2.0443	2.5566
O3	1.3976	2.3212		2.0929	2.0061	0.9822
H4	1.1080	2.0229	2.0929		1.8208	2.2982
H5	1.1014	2.0443	2.0061	1.8208		2.8241
H6	1.9363	2.5566	0.9822	2.2982	2.8241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.626	F2	C1	O3	111.748
F2	C1	H4	106.527	F2	C1	H5	108.593
O3	C1	H4	112.785	O3	C1	H5	106.181
H4	C1	H5	110.997

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/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	0.195
2	F	-0.283
3	O	-0.535
4	H	0.109
5	H	0.134
6	H	0.381

	x	y	z	Total
	-0.603	0.494	1.409	1.610
CHELPG
AIM
ESP

	x	y	z
x	2.557	0.256	-0.050
y	0.256	2.486	-0.214
z	-0.050	-0.214	2.394

<r²>	43.299
(<r²>)^1/2	6.580

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)