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	hartrees
Energy at 0K	-53.747070
Energy at 298.15K	-53.748383
HF Energy	-53.747070
Nuclear repulsion energy	39.984562

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'	3391	3045	54.71	75.80	0.26	0.41
2	A'	1280	1150	127.32	4.45	0.18	0.30
3	A'	1166	1047	29.58	2.55	0.62	0.76
4	A'	588	528	8.13	1.08	0.70	0.82
5	A"	1473	1323	121.03	1.84	0.75	0.86
6	A"	1310	1176	249.73	5.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.031	0.510	0.000
H2	-0.739	1.274	0.000
F3	0.031	-0.241	1.087
F4	0.031	-0.241	-1.087

	C1	H2	F3	F4
C1		1.0838	1.3212	1.3212
H2	1.0838		2.0167	2.0167
F3	1.3212	2.0167		2.1739
F4	1.3212	2.0167	2.1739

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.604		H2	C1	F4	113.604
F3	C1	F4	110.716

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

using model chemistry: HF/CEP-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	0.219
2	H	0.173
3	F	-0.196
4	F	-0.196

	x	y	z	Total
	-0.742	1.540	0.000	1.709
CHELPG
AIM
ESP

	x	y	z
x	1.308	-0.150	0.000
y	-0.150	1.678	0.000
z	0.000	0.000	1.819

<r²>	30.472
(<r²>)^1/2	5.520

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

using model chemistry: HF/CEP-31G*

States and conformations

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