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	hartrees
Energy at 0K	-237.216562
Energy at 298.15K	-237.217775
HF Energy	-237.216562
Nuclear repulsion energy	70.194311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3044	3009	13.86
2	A'	1170	1157	84.10
3	A'	904	894	8.49
4	A'	534	528	3.40
5	A"	1262	1248	124.71
6	A"	1172	1158	163.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.509	0.000
H2	-0.728	1.316	0.000
F3	0.030	-0.243	1.093
F4	0.030	-0.243	-1.093

	C1	H2	F3	F4
C1		1.1078	1.3268	1.3268
H2	1.1078		2.0497	2.0497
F3	1.3268	2.0497		2.1863
F4	1.3268	2.0497	2.1863

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.388		H2	C1	F4	114.388
F3	C1	F4	110.955

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

using model chemistry: LSDA/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	0.683
2	H	-0.231
3	F	-0.226
4	F	-0.226

	x	y	z	Total
	-0.780	1.007	0.000	1.274
CHELPG
AIM
ESP

	x	y	z
x	2.359	-0.127	0.000
y	-0.127	2.659	0.000
z	0.000	0.000	2.889

<r²>	36.549
(<r²>)^1/2	6.046

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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