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	hartrees
Energy at 0K	-238.322884
Energy at 298.15K
HF Energy	-238.322884
Nuclear repulsion energy	68.771514

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'	3027	3027	19.25	111.66	0.23	0.37
2	A'	1085	1085	85.87	6.53	0.24	0.38
3	A'	935	935	3.07	1.24	0.73	0.84
4	A'	509	509	2.94	1.31	0.64	0.78
5	A"	1249	1249	23.97	2.56	0.75	0.86
6	A"	1079	1079	271.58	3.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.522	0.000
H2	-0.745	1.307	0.000
F3	0.031	-0.247	1.118
F4	0.031	-0.247	-1.118

	C1	H2	F3	F4
C1		1.1043	1.3569	1.3569
H2	1.1043		2.0659	2.0659
F3	1.3569	2.0659		2.2362
F4	1.3569	2.0659	2.2362

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.758		H2	C1	F4	113.758
F3	C1	F4	110.973

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

using model chemistry: BLYP/daug-cc-pVDZ

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	1.262
2	H	-0.407
3	F	-0.427
4	F	-0.427

	x	y	z	Total
	-0.755	1.143	0.000	1.370
CHELPG
AIM
ESP

	x	y	z
x	2.505	-0.126	0.000
y	-0.126	2.829	0.000
z	0.000	0.000	3.131

<r²>	37.749
(<r²>)^1/2	6.144

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

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

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