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	hartrees
Energy at 0K	-238.356356
Energy at 298.15K	-238.357619
HF Energy	-238.356356
Nuclear repulsion energy	70.434107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3003	24.07
2	A'	1198	1143	105.74
3	A'	1009	962	9.40
4	A'	558	533	5.09
5	A"	1360	1297	80.95
6	A"	1213	1158	244.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.504	0.000
H2	-0.714	1.298	0.000
F3	0.030	-0.240	1.093
F4	0.030	-0.240	-1.093

	C1	H2	F3	F4
C1		1.0883	1.3225	1.3225
H2	1.0883		2.0287	2.0287
F3	1.3225	2.0287		2.1862
F4	1.3225	2.0287	2.1862

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.253		H2	C1	F4	114.253
F3	C1	F4	111.493

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

using model chemistry: mPW1PW91/TZVP

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	0.224
2	H	0.105
3	F	-0.165
4	F	-0.165

	x	y	z	Total
	-0.740	1.243	0.000	1.447
CHELPG
AIM
ESP

	x	y	z
x	1.620	-0.183	0.000
y	-0.183	2.027	0.000
z	0.000	0.000	2.240

<r²>	36.258
(<r²>)^1/2	6.021

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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