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	hartrees
Energy at 0K	-238.255762
Energy at 298.15K
HF Energy	-238.255762
Nuclear repulsion energy	70.142789

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'	3124	2976	29.85	93.77	0.25	0.40
2	A'	1194	1138	98.03	4.19	0.17	0.29
3	A'	999	952	11.03	4.10	0.47	0.64
4	A'	553	526	4.70	1.48	0.74	0.85
5	A"	1352	1288	109.75	3.27	0.75	0.86
6	A"	1210	1152	188.68	5.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.508	0.000
H2	-0.733	1.300	0.000
F3	0.031	-0.241	1.096
F4	0.031	-0.241	-1.096

	C1	H2	F3	F4
C1		1.1002	1.3279	1.3279
H2	1.1002		2.0398	2.0398
F3	1.3279	2.0398		2.1928
F4	1.3279	2.0398	2.1928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.974		H2	C1	F4	113.974
F3	C1	F4	111.318

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

using model chemistry: wB97X-D/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	0.255
2	H	0.062
3	F	-0.159
4	F	-0.159

	x	y	z	Total
	-0.692	1.137	0.000	1.332
CHELPG
AIM
ESP

	x	y	z
x	1.385	-0.264	0.000
y	-0.264	1.722	0.000
z	0.000	0.000	1.978

<r²>	36.169
(<r²>)^1/2	6.014

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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