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	hartrees
Energy at 0K	-238.069340
Energy at 298.15K
HF Energy	-238.069340
Nuclear repulsion energy	69.408551

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'	3021	2971	46.88	90.52	0.27	0.42
2	A'	1154	1135	72.65	6.11	0.13	0.22
3	A'	987	970	11.17	5.90	0.50	0.66
4	A'	521	512	2.84	1.70	0.75	0.86
5	A"	1328	1306	86.26	4.77	0.75	0.86
6	A"	1169	1150	163.83	6.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.511	0.000
H2	-0.744	1.297	0.000
F3	0.031	-0.242	1.111
F4	0.031	-0.242	-1.111

	C1	H2	F3	F4
C1		1.1037	1.3419	1.3419
H2	1.1037		2.0500	2.0500
F3	1.3419	2.0500		2.2215
F4	1.3419	2.0500	2.2215

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.556		H2	C1	F4	113.556
F3	C1	F4	111.738

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

using model chemistry: PBEPBEultrafine/6-31G*

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	0.260
2	H	0.142
3	F	-0.201
4	F	-0.201

	x	y	z	Total
	-0.664	0.877	0.000	1.100
CHELPG
AIM
ESP

	x	y	z
x	1.475	-0.307	0.000
y	-0.307	1.886	0.000
z	0.000	0.000	2.154

<r²>	36.700
(<r²>)^1/2	6.058

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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