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	hartrees
Energy at 0K	-238.350368
Energy at 298.15K	-238.351630
HF Energy	-238.350368
Nuclear repulsion energy	70.539024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3007	23.94
2	A'	1201	1149	106.92
3	A'	1008	965	9.40
4	A'	558	534	5.17
5	A"	1358	1300	85.74
6	A"	1215	1162	243.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.505	0.000
H2	-0.718	1.294	0.000
F3	0.030	-0.240	1.091
F4	0.030	-0.240	-1.091

	C1	H2	F3	F4
C1		1.0871	1.3209	1.3209
H2	1.0871		2.0255	2.0255
F3	1.3209	2.0255		2.1814
F4	1.3209	2.0255	2.1814

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.170		H2	C1	F4	114.170
F3	C1	F4	111.318

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

using model chemistry: B1B95/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	0.227
2	H	0.105
3	F	-0.166
4	F	-0.166

	x	y	z	Total
	-0.756	1.226	0.000	1.440
CHELPG
AIM
ESP

	x	y	z
x	1.634	-0.185	0.000
y	-0.185	2.036	0.000
z	0.000	0.000	2.255

<r²>	36.163
(<r²>)^1/2	6.014

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

using model chemistry: B1B95/TZVP

States and conformations

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