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	hartrees
Energy at 0K	-234.883107
Energy at 298.15K
HF Energy	-234.883107
Nuclear repulsion energy	67.187599

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'	3060	3060	27.64	39.15	0.35	0.52
2	A'	1171	1171	21.41	5.50	0.12	0.22
3	A'	942	942	14.94	4.16	0.40	0.58
4	A'	494	494	2.05	1.37	0.75	0.86
5	A"	1411	1411	53.56	2.50	0.75	0.86
6	A"	1211	1211	32.12	6.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.033	0.529	0.000
H2	-0.792	1.310	0.000
F3	0.033	-0.249	1.148
F4	0.033	-0.249	-1.148

	C1	H2	F3	F4
C1		1.1360	1.3872	1.3872
H2	1.1360		2.1049	2.1049
F3	1.3872	2.1049		2.2960
F4	1.3872	2.1049	2.2960

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	112.695		H2	C1	F4	112.695
F3	C1	F4	111.702

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

using model chemistry: B97D3/STO-3G

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	0.062
2	H	0.052
3	F	-0.057
4	F	-0.057

	x	y	z	Total
	-0.546	0.190	0.000	0.578
CHELPG
AIM
ESP

	x	y	z
x	0.546	-0.217	0.000
y	-0.217	1.012	0.000
z	0.000	0.000	1.495

<r²>	37.482
(<r²>)^1/2	6.122

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

using model chemistry: B97D3/STO-3G

States and conformations

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