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	hartrees
Energy at 0K	-238.144539
Energy at 298.15K	-238.145755
HF Energy	-238.144539
Nuclear repulsion energy	69.512163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3021	2989	39.85
2	A'	1133	1122	86.71
3	A'	982	972	10.05
4	A'	529	523	3.29
5	A"	1305	1291	58.47
6	A"	1139	1127	224.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.512	0.000
H2	-0.752	1.285	0.000
F3	0.031	-0.242	1.108
F4	0.031	-0.242	-1.108

	C1	H2	F3	F4
C1		1.1006	1.3407	1.3407
H2	1.1006		2.0433	2.0433
F3	1.3407	2.0433		2.2164
F4	1.3407	2.0433	2.2164

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.276		H2	C1	F4	113.276
F3	C1	F4	111.492

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

using model chemistry: PBEPBE/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	0.112
2	H	0.193
3	F	-0.153
4	F	-0.153

	x	y	z	Total
	-0.757	1.007	0.000	1.260
CHELPG
AIM
ESP

	x	y	z
x	1.508	-0.251	0.000
y	-0.251	1.873	0.000
z	0.000	0.000	2.189

<r²>	36.840
(<r²>)^1/2	6.070

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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