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	hartrees
Energy at 0K	-238.265413
Energy at 298.15K
HF Energy	-238.265413
Nuclear repulsion energy	70.173644

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'	3173	3173	15.22	90.41	0.19	0.32
2	A'	1196	1196	101.70	4.56	0.25	0.40
3	A'	989	989	6.41	0.70	0.73	0.85
4	A'	549	549	5.11	0.88	0.66	0.79
5	A"	1339	1339	84.51	1.40	0.75	0.86
6	A"	1216	1216	216.92	3.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.512	0.000
H2	-0.724	1.303	0.000
F3	0.030	-0.243	1.094
F4	0.030	-0.243	-1.094

	C1	H2	F3	F4
C1		1.0931	1.3291	1.3291
H2	1.0931		2.0388	2.0388
F3	1.3291	2.0388		2.1873
F4	1.3291	2.0388	2.1873

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.290		H2	C1	F4	114.290
F3	C1	F4	110.740

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

using model chemistry: M06-2X/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	1.337
2	H	-0.340
3	F	-0.499
4	F	-0.499

	x	y	z	Total
	-0.719	1.274	0.000	1.463
CHELPG
AIM
ESP

	x	y	z
x	2.241	-0.103	0.000
y	-0.103	2.498	0.000
z	0.000	0.000	2.668

<r²>	36.447
(<r²>)^1/2	6.037

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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