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	hartrees
Energy at 0K	-238.277903
Energy at 298.15K
HF Energy	-238.277903
Nuclear repulsion energy	69.976811

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'	3146	3011	18.09	88.03	0.20	0.34
2	A'	1170	1120	98.50	5.49	0.21	0.35
3	A'	983	941	6.37	0.83	0.55	0.71
4	A'	541	518	4.28	1.04	0.66	0.79
5	A"	1318	1262	60.96	1.68	0.75	0.86
6	A"	1183	1132	250.35	3.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.512	0.000
H2	-0.727	1.305	0.000
F3	0.030	-0.243	1.098
F4	0.030	-0.243	-1.098

	C1	H2	F3	F4
C1		1.0964	1.3323	1.3323
H2	1.0964		2.0431	2.0431
F3	1.3323	2.0431		2.1956
F4	1.3323	2.0431	2.1956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.193		H2	C1	F4	114.193
F3	C1	F4	110.969

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.806
2	H	-0.175
3	F	-0.316
4	F	-0.316

	x	y	z	Total
	-0.742	1.222	0.000	1.429
CHELPG
AIM
ESP

	x	y	z
x	2.161	-0.111	0.000
y	-0.111	2.463	0.000
z	0.000	0.000	2.698

<r²>	36.593
(<r²>)^1/2	6.049

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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