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	hartrees
Energy at 0K	-238.345206
Energy at 298.15K
HF Energy	-238.345206
Nuclear repulsion energy	70.474291

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'	3134	2998	18.91	89.93	0.20	0.34
2	A'	1193	1141	97.68	5.22	0.24	0.39
3	A'	995	952	7.18	0.76	0.72	0.84
4	A'	557	533	4.23	0.94	0.65	0.79
5	A"	1341	1283	68.20	1.62	0.75	0.86
6	A"	1204	1152	244.46	3.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.506	0.000
H2	-0.717	1.298	0.000
F3	0.030	-0.241	1.091
F4	0.030	-0.241	-1.091

	C1	H2	F3	F4
C1		1.0881	1.3224	1.3224
H2	1.0881		2.0287	2.0287
F3	1.3224	2.0287		2.1822
F4	1.3224	2.0287	2.1822

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.272		H2	C1	F4	114.272
F3	C1	F4	111.195

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

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

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	0.175
2	H	0.363
3	F	-0.269
4	F	-0.269

	x	y	z	Total
	-0.725	1.152	0.000	1.361
CHELPG
AIM
ESP

	x	y	z
x	2.260	-0.102	0.000
y	-0.102	2.528	0.000
z	0.000	0.000	2.731

<r²>	36.187
(<r²>)^1/2	6.016

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

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

States and conformations

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