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	hartrees
Energy at 0K	-238.111916
Energy at 298.15K	-238.113170
HF Energy	-238.111916
Nuclear repulsion energy	70.170656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3012	31.76
2	A'	1196	1151	95.06
3	A'	992	954	10.96
4	A'	551	530	4.53
5	A"	1349	1298	120.11
6	A"	1212	1166	173.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.507	0.000
H2	-0.729	1.303	0.000
F3	0.030	-0.241	1.096
F4	0.030	-0.241	-1.096

	C1	H2	F3	F4
C1		1.1001	1.3271	1.3271
H2	1.1001		2.0402	2.0402
F3	1.3271	2.0402		2.1923
F4	1.3271	2.0402	2.1923

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.069		H2	C1	F4	114.069
F3	C1	F4	111.373

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

using model chemistry: HSEh1PBE/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	0.256
2	H	0.057
3	F	-0.157
4	F	-0.157

	x	y	z	Total
	-0.671	1.107	0.000	1.295
CHELPG
AIM
ESP

	x	y	z
x	1.390	-0.273	0.000
y	-0.273	1.734	0.000
z	0.000	0.000	1.981

<r²>	36.164
(<r²>)^1/2	6.014

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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