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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
2	1	yes	C2V	³B₁

	hartrees
Energy at 0K	-237.460116
Energy at 298.15K	-237.459856
HF Energy	-237.460116
Nuclear repulsion energy	63.536765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1196	1180	91.72
2	A₁	629	621	1.99
3	B₂	1091	1076	292.58

Atom	y (Å)	z (Å)
C1	0.000	0.614
F2	1.046	-0.205
F3	-1.046	-0.205

	C1	F2	F3
C1		1.3278	1.3278
F2	1.3278		2.0913
F3	1.3278	2.0913

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: PBEPBE/6-31G**

States and conformations

State 1 (¹A₁)

State 2 (³B₁)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-237.377484
Energy at 298.15K	-237.377145
Nuclear repulsion energy	61.415354

Number	Element	Mulliken
1	C	0.292
2	F	-0.146
3	F	-0.146

	x	y	z	Total
	0.000	0.000	-0.739	0.739
CHELPG
AIM
ESP

<r²>	32.168
(<r²>)^1/2	5.672

	C1	F2	F3
C1		1.3329	1.3329
F2	1.3329		2.3122
F3	1.3329	2.3122

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: PBEPBE/6-31G**

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)