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	hartrees
Energy at 0K	-215.080863
Energy at 298.15K
HF Energy	-215.080863
Nuclear repulsion energy	78.977278

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	3809	3690	47.63	76.15	0.19	0.32
2	A	3117	3020	27.05	64.77	0.46	0.63
3	A	3030	2936	54.42	116.72	0.10	0.18
4	A	1529	1482	1.34	3.74	0.74	0.85
5	A	1440	1395	22.65	1.44	0.74	0.85
6	A	1394	1351	18.53	2.62	0.47	0.64
7	A	1263	1223	8.58	3.13	0.56	0.72
8	A	1130	1095	118.33	5.20	0.12	0.22
9	A	1063	1030	101.48	0.57	0.23	0.37
10	A	978	948	183.00	4.06	0.44	0.61
11	A	536	519	25.32	1.16	0.48	0.65
12	A	384	372	112.54	1.73	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.512	0.046
F2	1.137	-0.311	-0.024
O3	-1.143	-0.219	-0.120
H4	0.064	1.012	1.016
H5	0.073	1.219	-0.777
H6	-1.304	-0.757	0.661

	C1	F2	O3	H4	H5	H6
C1		1.3951	1.3771	1.0920	1.0873	1.9287
F2	1.3951		2.2844	1.9955	2.0100	2.5745
O3	1.3771	2.2844		2.0644	1.9945	0.9620
H4	1.0920	1.9955	2.0644		1.8043	2.2644
H5	1.0873	2.0100	1.9945	1.8043		2.8052
H6	1.9287	2.5745	0.9620	2.2644	2.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.818	F2	C1	O3	110.982
F2	C1	H4	106.066	F2	C1	H5	107.487
O3	C1	H4	112.951	O3	C1	H5	107.483
H4	C1	H5	111.775

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/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	0.316
2	F	-0.556
3	O	-0.642
4	H	0.250
5	H	0.294
6	H	0.336

	x	y	z	Total
	-0.843	0.880	1.453	1.896
CHELPG
AIM
ESP

	x	y	z
x	3.543	0.123	-0.038
y	0.123	3.268	-0.052
z	-0.038	-0.052	3.076

<r²>	42.871
(<r²>)^1/2	6.548

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)