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	hartrees
Energy at 0K	-214.962834
Energy at 298.15K
HF Energy	-214.962834
Nuclear repulsion energy	77.534903

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	3645	3645	33.55	88.56	0.19	0.32
2	A	3058	3058	26.06	70.71	0.51	0.68
3	A	2963	2963	53.07	128.02	0.10	0.17
4	A	1449	1449	2.18	4.19	0.74	0.85
5	A	1368	1368	30.81	3.02	0.56	0.72
6	A	1335	1335	4.66	2.13	0.40	0.57
7	A	1196	1196	6.71	3.72	0.54	0.70
8	A	1072	1072	105.27	6.21	0.11	0.20
9	A	1018	1018	81.44	0.56	0.31	0.47
10	A	879	879	200.73	4.75	0.39	0.57
11	A	502	502	26.94	1.25	0.46	0.63
12	A	386	386	100.41	2.25	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.523	0.047
F2	1.164	-0.312	-0.025
O3	-1.162	-0.228	-0.122
H4	0.063	1.023	1.033
H5	0.064	1.230	-0.796
H6	-1.316	-0.763	0.680

	C1	F2	O3	H4	H5	H6
C1		1.4329	1.3953	1.1065	1.1020	1.9467
F2	1.4329		2.3297	2.0278	2.0450	2.6171
O3	1.3953	2.3297		2.0973	2.0202	0.9767
H4	1.1065	2.0278	2.0973		1.8400	2.2836
H5	1.1020	2.0450	2.0202	1.8400		2.8377
H6	1.9467	2.6171	0.9767	2.2836	2.8377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.035	F2	C1	O3	110.913
F2	C1	H4	105.262	F2	C1	H5	106.833
O3	C1	H4	113.425	O3	C1	H5	107.403
H4	C1	H5	112.842

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/daug-cc-pVDZ

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	1.900
2	F	-0.610
3	O	-0.612
4	H	-0.487
5	H	-0.456
6	H	0.265

	x	y	z	Total
	-0.962	0.919	1.429	1.953
CHELPG
AIM
ESP

	x	y	z
x	3.932	0.123	-0.044
y	0.123	3.540	-0.051
z	-0.044	-0.051	3.314

<r²>	44.254
(<r²>)^1/2	6.652

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)