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	hartrees
Energy at 0K	-138.274994
Energy at 298.15K	-138.276070
HF Energy	-138.274994
Nuclear repulsion energy	31.606399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3042	5.43
2	A'	1543	1473	4.86
3	A'	1201	1147	58.72
4	A'	358	341	79.80
5	A"	3344	3192	20.71
6	A"	1174	1121	5.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.667	0.000
F2	0.017	-0.701	0.000
H3	-0.129	1.152	0.953
H4	-0.129	1.152	-0.953

	C1	F2	H3	H4
C1		1.3681	1.0795	1.0795
F2	1.3681		2.0890	2.0890
H3	1.0795	2.0890		1.9068
H4	1.0795	2.0890	1.9068

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	H3	116.688		F2	C1	H4	116.688
H3	C1	H4	124.059

All results from a given calculation for CH₂F (fluoromethyl radical)

using model chemistry: mPW1PW91/3-21G

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	-0.140
2	F	-0.271
3	H	0.205
4	H	0.205

	x	y	z	Total
	-0.300	1.438	0.000	1.469
CHELPG
AIM
ESP

	x	y	z
x	0.687	-0.074	0.000
y	-0.074	1.776	0.000
z	0.000	0.000	1.547

<r²>	18.546
(<r²>)^1/2	4.306

All results from a given calculation for CH2F (fluoromethyl radical)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₂F (fluoromethyl radical)