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	hartrees
Energy at 0K	-238.189037
Energy at 298.15K
HF Energy	-238.189037
Nuclear repulsion energy	69.647010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3022	2985	25.95	101.17	0.25	0.39
2	A'	1137	1123	84.42	4.81	0.20	0.33
3	A'	958	947	7.05	2.53	0.37	0.54
4	A'	530	523	3.00	1.59	0.71	0.83
5	A"	1280	1265	51.64	3.13	0.75	0.86
6	A"	1142	1129	233.98	4.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.512	0.000
H2	-0.733	1.302	0.000
F3	0.031	-0.243	1.105
F4	0.031	-0.243	-1.105

	C1	H2	F3	F4
C1		1.0988	1.3381	1.3381
H2	1.0988		2.0470	2.0470
F3	1.3381	2.0470		2.2101
F4	1.3381	2.0470	2.2101

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.920		H2	C1	F4	113.920
F3	C1	F4	111.342

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.155
2	H	0.103
3	F	-0.129
4	F	-0.129

	x	y	z	Total
	-0.738	1.004	0.000	1.246
CHELPG
AIM
ESP

	x	y	z
x	1.947	-0.192	0.000
y	-0.192	2.347	0.000
z	0.000	0.000	2.617

<r²>	36.878
(<r²>)^1/2	6.073

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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