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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	-235.269869
Energy at 298.15K	-235.269595
HF Energy	-235.269869
Nuclear repulsion energy	62.725089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1182	1163	81.35
2	A₁	594	584	5.82
3	B₂	1138	1119	196.11

Atom	y (Å)	z (Å)
C1	0.000	0.623
F2	1.058	-0.208
F3	-1.058	-0.208

	C1	F2	F3
C1		1.3455	1.3455
F2	1.3455		2.1169
F3	1.3455	2.1169

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: LSDA/3-21G

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	-235.186136
Energy at 298.15K	-235.185797
Nuclear repulsion energy	60.748450

Number	Element	Mulliken
1	C	0.398
2	F	-0.199
3	F	-0.199

	x	y	z	Total
	0.000	0.000	-0.786	0.786
CHELPG
AIM
ESP

<r²>	32.908
(<r²>)^1/2	5.737

	C1	F2	F3
C1		1.3452	1.3452
F2	1.3452		2.3469
F3	1.3452	2.3469

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: LSDA/3-21G

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)