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	hartrees
Energy at 0K	-238.179574
Energy at 298.15K	-238.180790
HF Energy	-238.179574
Nuclear repulsion energy	69.513484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3028	2994	26.71
2	A'	1130	1118	92.79
3	A'	965	954	6.86
4	A'	531	525	3.61
5	A"	1288	1273	50.60
6	A"	1134	1122	255.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.512	0.000
H2	-0.734	1.301	0.000
F3	0.031	-0.243	1.108
F4	0.031	-0.243	-1.108

	C1	H2	F3	F4
C1		1.0992	1.3406	1.3406
H2	1.0992		2.0487	2.0487
F3	1.3406	2.0487		2.2159
F4	1.3406	2.0487	2.2159

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.849		H2	C1	F4	113.849
F3	C1	F4	111.472

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

using model chemistry: PBEPBE/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	0.166
2	H	0.109
3	F	-0.138
4	F	-0.138

	x	y	z	Total
	-0.781	1.106	0.000	1.354
CHELPG
AIM
ESP

	x	y	z
x	1.749	-0.204	0.000
y	-0.204	2.192	0.000
z	0.000	0.000	2.463

<r²>	37.072
(<r²>)^1/2	6.089

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

using model chemistry: PBEPBE/TZVP

States and conformations

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