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	hartrees
Energy at 0K	-213.699620
Energy at 298.15K
HF Energy	-213.699620
Nuclear repulsion energy	77.511735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3531	3388	5.23
2	A	3130	3003	49.29
3	A	3016	2894	87.80
4	A	1583	1519	1.53
5	A	1477	1417	30.57
6	A	1412	1355	15.83
7	A	1271	1220	7.01
8	A	1094	1050	71.36
9	A	1071	1028	143.30
10	A	1016	974	91.66
11	A	530	509	80.53
12	A	393	377	115.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.515	0.051
F2	1.163	-0.312	-0.030
O3	-1.177	-0.213	-0.115
H4	0.071	1.039	1.016
H5	0.036	1.234	-0.769
H6	-1.279	-0.849	0.639

	C1	F2	O3	H4	H5	H6
C1		1.4133	1.4103	1.0991	1.0911	1.9730
F2	1.4133		2.3440	2.0276	2.0516	2.5885
O3	1.4103	2.3440		2.0980	1.9981	0.9922
H4	1.0991	2.0276	2.0980		1.7956	2.3510
H5	1.0911	2.0516	1.9981	1.7956		2.8377
H6	1.9730	2.5885	0.9922	2.3510	2.8377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.170	F2	C1	O3	112.228
F2	C1	H4	106.950	F2	C1	H5	109.338
O3	C1	H4	112.864	O3	C1	H5	105.318
H4	C1	H5	110.138

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3PW91/3-21G*

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	0.106
2	F	-0.311
3	O	-0.573
4	H	0.188
5	H	0.226
6	H	0.363

	x	y	z	Total
	-0.582	0.614	1.616	1.824
CHELPG
AIM
ESP

	x	y	z
x	2.147	0.257	-0.050
y	0.257	2.076	-0.258
z	-0.050	-0.258	1.961

<r²>	43.744
(<r²>)^1/2	6.614

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)