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	hartrees
Energy at 0K	-237.010049
Energy at 298.15K
HF Energy	-237.010049
Nuclear repulsion energy	68.086565

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'	3113	3006	43.33	82.35	0.26	0.42
2	A'	1126	1088	64.44	6.74	0.17	0.29
3	A'	962	929	9.40	6.97	0.42	0.60
4	A'	500	483	5.60	2.04	0.75	0.86
5	A"	1376	1329	56.14	5.87	0.75	0.86
6	A"	1199	1158	123.38	6.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.029	0.517	0.000
H2	-0.698	1.329	0.000
F3	0.029	-0.246	1.137
F4	0.029	-0.246	-1.137

	C1	H2	F3	F4
C1		1.0897	1.3695	1.3695
H2	1.0897		2.0741	2.0741
F3	1.3695	2.0741		2.2741
F4	1.3695	2.0741	2.2741

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.520		H2	C1	F4	114.520
F3	C1	F4	112.252

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

using model chemistry: TPSSh/3-21G*

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	0.323
2	H	0.207
3	F	-0.265
4	F	-0.265

	x	y	z	Total
	-0.775	1.230	0.000	1.454
CHELPG
AIM
ESP

	x	y	z
x	0.983	-0.295	0.000
y	-0.295	1.515	0.000
z	0.000	0.000	1.873

<r²>	37.948
(<r²>)^1/2	6.160

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

using model chemistry: TPSSh/3-21G*

States and conformations

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