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	hartrees
Energy at 0K	-214.013231
Energy at 298.15K
HF Energy	-214.013231
Nuclear repulsion energy	80.520246

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	4152	3772	77.91	58.30	0.20	0.33
2	A	3281	2981	41.73	58.02	0.43	0.60
3	A	3198	2905	69.34	107.06	0.09	0.17
4	A	1672	1519	2.48	3.09	0.73	0.85
5	A	1585	1440	38.39	0.72	0.73	0.84
6	A	1507	1369	31.36	2.14	0.63	0.77
7	A	1385	1258	14.58	2.44	0.64	0.78
8	A	1247	1133	179.93	5.15	0.19	0.32
9	A	1175	1067	150.94	2.06	0.25	0.40
10	A	1125	1022	108.60	2.63	0.51	0.67
11	A	595	540	29.82	0.95	0.48	0.65
12	A	380	345	130.70	1.24	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	0.504	0.046
F2	1.106	-0.312	-0.025
O3	-1.124	-0.207	-0.114
H4	0.072	1.002	1.006
H5	0.088	1.214	-0.762
H6	-1.270	-0.776	0.621

	C1	F2	O3	H4	H5	H6
C1		1.3563	1.3604	1.0823	1.0774	1.9088
F2	1.3563		2.2337	1.9639	1.9768	2.5050
O3	1.3604	2.2337		2.0365	1.9767	0.9403
H4	1.0823	1.9639	2.0365		1.7808	2.2602
H5	1.0774	1.9768	1.9767	1.7808		2.7772
H6	1.9088	2.5050	0.9403	2.2602	2.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.797	F2	C1	O3	110.606
F2	C1	H4	106.746	F2	C1	H5	108.082
O3	C1	H4	112.462	O3	C1	H5	107.794
H4	C1	H5	111.087

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/aug-cc-pVQZ

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	0.428
2	F	-0.618
3	O	-0.667
4	H	0.241
5	H	0.279
6	H	0.337

	x	y	z	Total
	-0.692	0.875	1.485	1.857
CHELPG
AIM
ESP

	x	y	z
x	2.964	0.114	-0.029
y	0.114	2.842	-0.059
z	-0.029	-0.059	2.708

<r²>	41.404
(<r²>)^1/2	6.435

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)