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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	-237.612586
Energy at 298.15K	-237.612228
HF Energy	-237.612586
Nuclear repulsion energy	60.663077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1046	1038	109.86
2	A₁	539	535	2.88
3	B₂	953	946	247.86

Atom	y (Å)	z (Å)
C1	0.000	0.648
F2	1.092	-0.216
F3	-1.092	-0.216

	C1	F2	F3
C1		1.3927	1.3927
F2	1.3927		2.1840
F3	1.3927	2.1840

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: BLYP/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	-237.535351
Energy at 298.15K	-237.534937
Nuclear repulsion energy	59.010541

Number	Element	Mulliken
1	C	0.428
2	F	-0.214
3	F	-0.214

	x	y	z	Total
	0.000	0.000	-0.265	0.265
CHELPG
AIM
ESP

<r²>	34.641
(<r²>)^1/2	5.886

	C1	F2	F3
C1		1.3861	1.3861
F2	1.3861		2.4111
F3	1.3861	2.4111

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: BLYP/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)