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	hartrees
Energy at 0K	-238.305737
Energy at 298.15K
HF Energy	-238.305737
Nuclear repulsion energy	69.665617

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'	3035	2994	30.39	97.34	0.24	0.39
2	A'	1131	1116	88.45	4.99	0.19	0.32
3	A'	971	958	5.91	2.55	0.34	0.50
4	A'	533	525	3.14	1.56	0.70	0.82
5	A"	1295	1278	41.24	3.14	0.75	0.86
6	A"	1136	1120	252.65	4.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.511	0.000
H2	-0.734	1.295	0.000
F3	0.031	-0.242	1.106
F4	0.031	-0.242	-1.106

	C1	H2	F3	F4
C1		1.0949	1.3378	1.3378
H2	1.0949		2.0419	2.0419
F3	1.3378	2.0419		2.2116
F4	1.3378	2.0419	2.2116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.767		H2	C1	F4	113.767
F3	C1	F4	111.496

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

using model chemistry: B97D3/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	0.201
2	H	0.090
3	F	-0.145
4	F	-0.145

	x	y	z	Total
	-0.716	1.052	0.000	1.272
CHELPG
AIM
ESP

	x	y	z
x	1.905	-0.188	0.000
y	-0.188	2.296	0.000
z	0.000	0.000	2.579

<r²>	36.784
(<r²>)^1/2	6.065

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

using model chemistry: B97D3/Def2TZVPP

States and conformations

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