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	hartrees
Energy at 0K	-237.188441
Energy at 298.15K	-237.189699
HF Energy	-237.188441
Nuclear repulsion energy	68.917512

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'	3424	3066	16.14	71.28	0.22	0.36
2	A'	1188	1064	117.88	6.85	0.15	0.26
3	A'	1064	953	10.78	3.87	0.56	0.72
4	A'	535	479	14.60	1.88	0.73	0.85
5	A"	1454	1301	73.72	4.17	0.75	0.86
6	A"	1270	1137	194.88	7.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.519	0.000
H2	-0.695	1.306	0.000
F3	0.029	-0.246	1.120
F4	0.029	-0.246	-1.120

	C1	H2	F3	F4
C1		1.0690	1.3560	1.3560
H2	1.0690		2.0456	2.0456
F3	1.3560	2.0456		2.2390
F4	1.3560	2.0456	2.2390

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.520		H2	C1	F4	114.520
F3	C1	F4	111.299

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

using model chemistry: ROHF/6-31G

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	0.627
2	H	0.181
3	F	-0.404
4	F	-0.404

	x	y	z	Total
	-0.680	2.164	0.000	2.268
CHELPG
AIM
ESP

<r²>	37.533
(<r²>)^1/2	6.126

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

using model chemistry: ROHF/6-31G

States and conformations

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