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	hartrees
Energy at 0K	-238.239605
Energy at 298.15K
HF Energy	-238.239605
Nuclear repulsion energy	70.179848

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'	3147	2985	40.93	83.87	0.26	0.41
2	A'	1210	1148	88.51	4.95	0.12	0.21
3	A'	1035	982	13.67	4.97	0.54	0.70
4	A'	545	517	4.27	1.41	0.75	0.86
5	A"	1391	1319	106.06	3.79	0.75	0.86
6	A"	1229	1165	173.32	5.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.506	0.000
H2	-0.732	1.288	0.000
F3	0.030	-0.240	1.098
F4	0.030	-0.240	-1.098

	C1	H2	F3	F4
C1		1.0921	1.3274	1.3274
H2	1.0921		2.0304	2.0304
F3	1.3274	2.0304		2.1952
F4	1.3274	2.0304	2.1952

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.754		H2	C1	F4	113.754
F3	C1	F4	111.561

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

using model chemistry: wB97X-D/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	0.320
2	H	0.159
3	F	-0.239
4	F	-0.239

	x	y	z	Total
	-0.666	1.097	0.000	1.283
CHELPG
AIM
ESP

	x	y	z
x	1.420	-0.284	0.000
y	-0.284	1.779	0.000
z	0.000	0.000	2.004

<r²>	36.077
(<r²>)^1/2	6.006

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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