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	hartrees
Energy at 0K	-238.017933
Energy at 298.15K	-238.019080
HF Energy	-238.017933
Nuclear repulsion energy	67.425450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	3046	28.31
2	A'	1066	1051	71.86
3	A'	906	893	5.38
4	A'	479	473	5.61
5	A"	1284	1266	41.99
6	A"	1118	1103	167.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.525	0.000
H2	-0.719	1.329	0.000
F3	0.030	-0.249	1.147
F4	0.030	-0.249	-1.147

	C1	H2	F3	F4
C1		1.0981	1.3840	1.3840
H2	1.0981		2.0892	2.0892
F3	1.3840	2.0892		2.2947
F4	1.3840	2.0892	2.2947

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.153		H2	C1	F4	114.153
F3	C1	F4	111.998

All results from a given calculation for CHF₂ (difluoromethyl radical)

using model chemistry: PBEPBE/6-31G

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	0.330
2	H	0.163
3	F	-0.247
4	F	-0.247

	x	y	z	Total
	-0.824	1.333	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	1.156	-0.281	0.000
y	-0.281	1.701	0.000
z	0.000	0.000	2.170

<r²>	38.660
(<r²>)^1/2	6.218

All results from a given calculation for CHF2 (difluoromethyl radical)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CHF₂ (difluoromethyl radical)