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	hartrees
Energy at 0K	-238.235237
Energy at 298.15K	-238.236495
HF Energy	-238.235237
Nuclear repulsion energy	70.502417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	2983	34.30
2	A'	1208	1162	76.68
3	A'	1007	968	12.49
4	A'	552	531	3.46
5	A"	1367	1314	95.59
6	A"	1227	1179	154.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.502	0.000
H2	-0.719	1.300	0.000
F3	0.030	-0.240	1.092
F4	0.030	-0.240	-1.092

	C1	H2	F3	F4
C1		1.0939	1.3202	1.3202
H2	1.0939		2.0304	2.0304
F3	1.3202	2.0304		2.1846
F4	1.3202	2.0304	2.1846

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.178		H2	C1	F4	114.178
F3	C1	F4	111.657

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.002
2	H	0.136
3	F	-0.067
4	F	-0.067

	x	y	z	Total
	-0.625	0.968	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	1.683	-0.258	0.000
y	-0.258	2.039	0.000
z	0.000	0.000	2.248

<r²>	35.834
(<r²>)^1/2	5.986

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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