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	hartrees
Energy at 0K	-238.245131
Energy at 298.15K	-238.246388
HF Energy	-238.245131
Nuclear repulsion energy	70.333654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3004	40.21
2	A'	1218	1163	86.27
3	A'	1031	984	13.49
4	A'	545	520	4.27
5	A"	1392	1329	119.27
6	A"	1235	1179	157.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.506	0.000
H2	-0.731	1.287	0.000
F3	0.030	-0.240	1.095
F4	0.030	-0.240	-1.095

	C1	H2	F3	F4
C1		1.0909	1.3246	1.3246
H2	1.0909		2.0273	2.0273
F3	1.3246	2.0273		2.1894
F4	1.3246	2.0273	2.1894

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.779		H2	C1	F4	113.779
F3	C1	F4	111.468

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	0.322
2	H	0.151
3	F	-0.236
4	F	-0.236

	x	y	z	Total
	-0.656	1.052	0.000	1.240
CHELPG
AIM
ESP

	x	y	z
x	1.420	-0.284	0.000
y	-0.284	1.780	0.000
z	0.000	0.000	2.005

<r²>	35.936
(<r²>)^1/2	5.995

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)