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	hartrees
Energy at 0K	-238.187515
Energy at 298.15K	-238.188707
HF Energy	-238.187515
Nuclear repulsion energy	68.344287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3069	20.72
2	A'	1123	1071	85.87
3	A'	942	899	6.69
4	A'	501	478	8.27
5	A"	1345	1283	61.95
6	A"	1184	1129	169.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.519	0.000
H2	-0.700	1.323	0.000
F3	0.029	-0.247	1.131
F4	0.029	-0.247	-1.131

	C1	H2	F3	F4
C1		1.0849	1.3655	1.3655
H2	1.0849		2.0670	2.0670
F3	1.3655	2.0670		2.2611
F4	1.3655	2.0670	2.2611

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.543		H2	C1	F4	114.543
F3	C1	F4	111.767

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

using model chemistry: B1B95/6-31G

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	0.407
2	H	0.173
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	-0.804	1.577	0.000	1.770
CHELPG
AIM
ESP

	x	y	z
x	1.092	-0.258	0.000
y	-0.258	1.582	0.000
z	0.000	0.000	1.993

<r²>	37.870
(<r²>)^1/2	6.154

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

using model chemistry: B1B95/6-31G

States and conformations

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