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	hartrees
Energy at 0K	-237.381195
Energy at 298.15K	-237.382523
HF Energy	-237.381195
Nuclear repulsion energy	71.454420

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'	3300	3300	28.52	78.19	0.19	0.33
2	A'	1283	1283	121.61	3.68	0.19	0.32
3	A'	1143	1143	13.52	1.13	0.68	0.81
4	A'	602	602	6.73	0.83	0.66	0.80
5	A"	1474	1474	79.18	1.43	0.75	0.86
6	A"	1310	1310	252.31	3.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.030	0.501	0.000
H2	-0.714	1.278	0.000
F3	0.030	-0.238	1.075
F4	0.030	-0.238	-1.075

	C1	H2	F3	F4
C1		1.0756	1.3046	1.3046
H2	1.0756		2.0020	2.0020
F3	1.3046	2.0020		2.1498
F4	1.3046	2.0020	2.1498

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.168		H2	C1	F4	114.168
F3	C1	F4	110.952

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

using model chemistry: ROHF/cc-pVQZ

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	0.507
2	H	0.035
3	F	-0.271
4	F	-0.271

	x	y	z	Total
	-0.637	1.428	0.000	1.564
CHELPG
AIM
ESP

<r²>	35.350
(<r²>)^1/2	5.946

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

using model chemistry: ROHF/cc-pVQZ

States and conformations

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