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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	-236.163172
Energy at 298.15K	-236.162864
HF Energy	-236.163172
Nuclear repulsion energy	61.669551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1129	1077	81.18	9.24	0.24	0.39
2	A₁	567	541	4.46	1.88	0.59	0.74
3	B₂	1068	1018	194.13	5.83	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	0.634
F2	1.077	-0.211
F3	-1.077	-0.211

	C1	F2	F3
C1		1.3685	1.3685
F2	1.3685		2.1531
F3	1.3685	2.1531

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: PBEPBE/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	-236.083940
Energy at 298.15K	-236.083570
Nuclear repulsion energy	59.766781

Number	Element	Mulliken
1	C	0.417
2	F	-0.209
3	F	-0.209

	x	y	z	Total
	0.000	0.000	-0.669	0.669
CHELPG
AIM
ESP

<r²>	33.708
(<r²>)^1/2	5.806

	C1	F2	F3
C1		1.3668	1.3668
F2	1.3668		2.3877
F3	1.3668	2.3877

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: PBEPBE/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)