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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	-234.327177
Energy at 298.15K	-234.326879
HF Energy	-234.327177
Nuclear repulsion energy	62.023779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1304	1164	37.02
2	A₁	618	551	2.72
3	B₂	1260	1124	118.25

Atom	y (Å)	z (Å)
C1	0.000	0.646
F2	1.061	-0.215
F3	-1.061	-0.215

	C1	F2	F3
C1		1.3665	1.3665
F2	1.3665		2.1218
F3	1.3665	2.1218

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: B3LYP/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	-234.254242
Energy at 298.15K	-234.253848
Nuclear repulsion energy	59.907385

Number	Element	Mulliken
1	C	0.106
2	F	-0.053
3	F	-0.053

	x	y	z	Total
	0.000	0.000	-1.017	1.017
CHELPG
AIM
ESP

<r²>	32.011
(<r²>)^1/2	5.658

	C1	F2	F3
C1		1.3695	1.3695
F2	1.3695		2.3582
F3	1.3695	2.3582

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: B3LYP/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)