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	hartrees
Energy at 0K	-238.413690
Energy at 298.15K
HF Energy	-238.413690
Nuclear repulsion energy	69.965762

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'	3099	3099	21.29	98.38	0.21	0.35
2	A'	1160	1160	92.71	5.72	0.24	0.38
3	A'	1005	1005	6.11	0.87	0.75	0.86
4	A'	541	541	3.77	1.05	0.66	0.79
5	A"	1320	1320	44.15	1.97	0.75	0.86
6	A"	1166	1166	260.02	3.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.513	0.000
H2	-0.731	1.293	0.000
F3	0.030	-0.243	1.098
F4	0.030	-0.243	-1.098

	C1	H2	F3	F4
C1		1.0902	1.3334	1.3334
H2	1.0902		2.0361	2.0361
F3	1.3334	2.0361		2.1966
F4	1.3334	2.0361	2.1966

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.932		H2	C1	F4	113.932
F3	C1	F4	110.909

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

using model chemistry: TPSSh/daug-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	0.632
2	H	0.560
3	F	-0.596
4	F	-0.596

	x	y	z	Total
	-0.727	1.147	0.000	1.358
CHELPG
AIM
ESP

	x	y	z
x	2.334	-0.114	0.000
y	-0.114	2.621	0.000
z	0.000	0.000	2.849

<r²>	36.596
(<r²>)^1/2	6.049

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

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

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