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	hartrees
Energy at 0K	-211.740978
Energy at 298.15K
HF Energy	-211.740978
Nuclear repulsion energy	75.799207

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	3565	3257	39.30	41.30	0.29	0.45
2	A	3176	2901	20.81	38.47	0.57	0.73
3	A	3039	2777	49.22	43.07	0.20	0.33
4	A	1591	1454	2.01	12.06	0.74	0.85
5	A	1534	1401	21.89	14.72	0.66	0.80
6	A	1452	1326	21.80	3.79	0.74	0.85
7	A	1256	1148	2.47	7.76	0.70	0.83
8	A	1131	1033	60.27	2.56	0.48	0.65
9	A	1069	977	12.20	5.03	0.30	0.46
10	A	1006	919	32.68	0.75	0.52	0.69
11	A	487	445	26.83	1.81	0.68	0.81
12	A	378	346	50.54	8.54	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	0.521	0.051
F2	1.175	-0.322	-0.035
O3	-1.216	-0.221	-0.123
H4	0.074	1.077	1.043
H5	0.042	1.281	-0.785
H6	-1.214	-0.818	0.728

	C1	F2	O3	H4	H5	H6
C1		1.4152	1.4699	1.1379	1.1302	1.9559
F2	1.4152		2.3943	2.0812	2.1015	2.5561
O3	1.4699	2.3943		2.1699	2.0679	1.0391
H4	1.1379	2.0812	2.1699		1.8402	2.3129
H5	1.1302	2.1015	2.0679	1.8402		2.8760
H6	1.9559	2.5561	1.0391	2.3129	2.8760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	101.046	F2	C1	O3	112.162
F2	C1	H4	108.719	F2	C1	H5	110.802
O3	C1	H4	111.998	O3	C1	H5	104.614
H4	C1	H5	108.452

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/STO-3G

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	0.008
2	F	-0.086
3	O	-0.223
4	H	0.059
5	H	0.075
6	H	0.167

	x	y	z	Total
	0.052	0.196	1.099	1.118
CHELPG
AIM
ESP

	x	y	z
x	1.597	0.185	-0.085
y	0.185	1.405	-0.273
z	-0.085	-0.273	1.258

<r²>	44.203
(<r²>)^1/2	6.649

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)