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	hartrees
Energy at 0K	-215.064709
Energy at 298.15K
HF Energy	-215.064709
Nuclear repulsion energy	78.908246

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	3801	3678	47.06	75.99	0.19	0.32
2	A	3119	3018	26.57	65.15	0.46	0.63
3	A	3033	2934	53.81	117.03	0.10	0.17
4	A	1527	1478	1.29	3.79	0.74	0.85
5	A	1437	1390	23.17	1.39	0.74	0.85
6	A	1393	1347	18.18	2.59	0.48	0.65
7	A	1260	1219	8.35	3.10	0.56	0.72
8	A	1129	1092	119.01	5.23	0.12	0.22
9	A	1061	1027	101.00	0.59	0.23	0.37
10	A	978	946	182.14	4.10	0.46	0.63
11	A	535	517	25.31	1.18	0.49	0.66
12	A	383	371	112.36	1.81	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.512	0.047
F2	1.138	-0.311	-0.024
O3	-1.144	-0.219	-0.120
H4	0.065	1.012	1.016
H5	0.073	1.220	-0.778
H6	-1.304	-0.758	0.662

	C1	F2	O3	H4	H5	H6
C1		1.3964	1.3785	1.0924	1.0877	1.9303
F2	1.3964		2.2863	1.9966	2.0111	2.5759
O3	1.3785	2.2863		2.0660	1.9958	0.9632
H4	1.0924	1.9966	2.0660		1.8059	2.2656
H5	1.0877	2.0111	1.9958	1.8059		2.8071
H6	1.9303	2.5759	0.9632	2.2656	2.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.761	F2	C1	O3	110.952
F2	C1	H4	106.043	F2	C1	H5	107.463
O3	C1	H4	112.956	O3	C1	H5	107.465
H4	C1	H5	111.865

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/aug-cc-pVTZ

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	0.097
2	F	-0.405
3	O	-0.384
4	H	0.250
5	H	0.284
6	H	0.158

	x	y	z	Total
	-0.846	0.885	1.455	1.901
CHELPG
AIM
ESP

	x	y	z
x	3.539	0.122	-0.039
y	0.122	3.260	-0.054
z	-0.039	-0.054	3.066

<r²>	42.934
(<r²>)^1/2	6.552

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)