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	hartrees
Energy at 0K	-238.335494
Energy at 298.15K
HF Energy	-238.335494
Nuclear repulsion energy	70.569991

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'	3158	3158	19.36	81.15	0.22	0.36
2	A'	1218	1218	103.93	3.64	0.20	0.33
3	A'	1014	1014	8.50	1.67	0.48	0.65
4	A'	560	560	5.22	1.18	0.71	0.83
5	A"	1367	1367	96.58	1.87	0.75	0.86
6	A"	1235	1235	210.17	4.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.507	0.000
H2	-0.717	1.295	0.000
F3	0.030	-0.241	1.089
F4	0.030	-0.241	-1.089

	C1	H2	F3	F4
C1		1.0863	1.3210	1.3210
H2	1.0863		2.0259	2.0259
F3	1.3210	2.0259		2.1779
F4	1.3210	2.0259	2.1779

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.260		H2	C1	F4	114.260
F3	C1	F4	111.050

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

using model chemistry: M06-2X/Def2TZVPP

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	0.210
2	H	0.131
3	F	-0.170
4	F	-0.170

	x	y	z	Total
	-0.695	1.240	0.000	1.422
CHELPG
AIM
ESP

	x	y	z
x	1.819	-0.158	0.000
y	-0.158	2.174	0.000
z	0.000	0.000	2.355

<r²>	36.105
(<r²>)^1/2	6.009

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

using model chemistry: M06-2X/Def2TZVPP

States and conformations

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