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	hartrees
Energy at 0K	-238.421728
Energy at 298.15K
HF Energy	-238.421728
Nuclear repulsion energy	69.983713

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'	3098	3098	26.22	93.21	0.24	0.38
2	A'	1164	1164	93.64	4.61	0.19	0.32
3	A'	1013	1013	7.59	2.17	0.42	0.60
4	A'	540	540	3.76	1.46	0.70	0.82
5	A"	1327	1327	50.54	2.74	0.75	0.86
6	A"	1172	1172	249.80	4.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.512	0.000
H2	-0.732	1.292	0.000
F3	0.031	-0.243	1.098
F4	0.031	-0.243	-1.098

	C1	H2	F3	F4
C1		1.0903	1.3329	1.3329
H2	1.0903		2.0352	2.0352
F3	1.3329	2.0352		2.1967
F4	1.3329	2.0352	2.1967

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.881		H2	C1	F4	113.881
F3	C1	F4	110.985

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

using model chemistry: TPSSh/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	0.225
2	H	0.082
3	F	-0.154
4	F	-0.154

	x	y	z	Total
	-0.722	1.126	0.000	1.337
CHELPG
AIM
ESP

	x	y	z
x	1.855	-0.179	0.000
y	-0.179	2.244	0.000
z	0.000	0.000	2.499

<r²>	36.496
(<r²>)^1/2	6.041

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

using model chemistry: TPSSh/Def2TZVPP

States and conformations

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