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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	-234.115029
Energy at 298.15K	-234.114701
HF Energy	-234.115029
Nuclear repulsion energy	61.262534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1248	1141	32.59
2	A₁	591	540	1.49
3	B₂	1197	1093	102.35

Atom	y (Å)	z (Å)
C1	0.000	0.655
F2	1.074	-0.218
F3	-1.074	-0.218

	C1	F2	F3
C1		1.3838	1.3838
F2	1.3838		2.1471
F3	1.3838	2.1471

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: PBEPBE/STO-3G

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	-234.036337
Energy at 298.15K	-234.035927
Nuclear repulsion energy	59.519291

Number	Element	Mulliken
1	C	0.046
2	F	-0.023
3	F	-0.023

	x	y	z	Total
	0.000	0.000	-1.144	1.144
CHELPG
AIM
ESP

<r²>	32.534
(<r²>)^1/2	5.704

	C1	F2	F3
C1		1.3782	1.3782
F2	1.3782		2.3744
F3	1.3782	2.3744

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: PBEPBE/STO-3G

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)