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	hartrees
Energy at 0K	-238.319182
Energy at 298.15K	-238.320441
HF Energy	-238.319182
Nuclear repulsion energy	70.483229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3013	28.58
2	A'	1201	1153	101.67
3	A'	1006	966	11.63
4	A'	555	533	4.96
5	A"	1361	1306	92.79
6	A"	1214	1165	215.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.506	0.000
H2	-0.725	1.289	0.000
F3	0.030	-0.240	1.091
F4	0.030	-0.240	-1.091

	C1	H2	F3	F4
C1		1.0881	1.3222	1.3222
H2	1.0881		2.0252	2.0252
F3	1.3222	2.0252		2.1827
F4	1.3222	2.0252	2.1827

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.972		H2	C1	F4	113.972
F3	C1	F4	111.260

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

using model chemistry: B1B95/6-311G**

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	0.242
2	H	0.114
3	F	-0.178
4	F	-0.178

	x	y	z	Total
	-0.728	1.170	0.000	1.378
CHELPG
AIM
ESP

	x	y	z
x	1.439	-0.222	0.000
y	-0.222	1.776	0.000
z	0.000	0.000	2.040

<r²>	36.009
(<r²>)^1/2	6.001

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

using model chemistry: B1B95/6-311G**

States and conformations

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