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	hartrees
Energy at 0K	-238.399513
Energy at 298.15K
HF Energy	-238.399513
Nuclear repulsion energy	69.238476

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'	3015	3015	25.09	101.99	0.25	0.40
2	A'	1108	1108	86.09	5.11	0.20	0.34
3	A'	959	959	5.42	2.73	0.32	0.49
4	A'	522	522	3.03	1.68	0.70	0.82
5	A"	1278	1278	32.27	3.66	0.75	0.86
6	A"	1104	1104	254.25	4.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.516	0.000
H2	-0.735	1.301	0.000
F3	0.031	-0.244	1.112
F4	0.031	-0.244	-1.112

	C1	H2	F3	F4
C1		1.0962	1.3471	1.3471
H2	1.0962		2.0518	2.0518
F3	1.3471	2.0518		2.2239
F4	1.3471	2.0518	2.2239

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.843		H2	C1	F4	113.843
F3	C1	F4	111.268

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

using model chemistry: BLYP/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	0.185
2	H	0.123
3	F	-0.154
4	F	-0.154

	x	y	z	Total
	-0.745	1.071	0.000	1.305
CHELPG
AIM
ESP

	x	y	z
x	1.947	-0.193	0.000
y	-0.193	2.357	0.000
z	0.000	0.000	2.655

<r²>	37.270
(<r²>)^1/2	6.105

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

using model chemistry: BLYP/Def2TZVPP

States and conformations

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