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	hartrees
Energy at 0K	-238.411976
Energy at 298.15K
HF Energy	-238.411976
Nuclear repulsion energy	69.860601

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'	3106	2994	26.88	94.93	0.26	0.41
2	A'	1159	1117	102.47	4.82	0.18	0.30
3	A'	1018	981	7.83	3.04	0.41	0.58
4	A'	541	521	4.55	1.84	0.72	0.84
5	A"	1336	1288	53.42	4.55	0.75	0.86
6	A"	1167	1125	268.06	4.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.512	0.000
H2	-0.731	1.292	0.000
F3	0.030	-0.242	1.101
F4	0.030	-0.242	-1.101

	C1	H2	F3	F4
C1		1.0905	1.3349	1.3349
H2	1.0905		2.0369	2.0369
F3	1.3349	2.0369		2.2025
F4	1.3349	2.0369	2.2025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.859		H2	C1	F4	113.859
F3	C1	F4	111.169

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

using model chemistry: TPSSh/TZVP

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	0.224
2	H	0.103
3	F	-0.164
4	F	-0.164

	x	y	z	Total
	-0.755	1.238	0.000	1.451
CHELPG
AIM
ESP

	x	y	z
x	1.653	-0.196	0.000
y	-0.196	2.087	0.000
z	0.000	0.000	2.336

<r²>	36.688
(<r²>)^1/2	6.057

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

using model chemistry: TPSSh/TZVP

States and conformations

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