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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	-236.634118
Energy at 298.15K	-236.633889
Nuclear repulsion energy	64.857614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1236	1216	108.29
2	A₁	671	660	3.54
3	B₂	1135	1117	332.66

Atom	y (Å)	z (Å)
C1	0.000	0.598
F2	1.026	-0.199
F3	-1.026	-0.199

	C1	F2	F3
C1		1.2995	1.2995
F2	1.2995		2.0528
F3	1.2995	2.0528

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: LSDA/6-311G*

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	-236.544010
Energy at 298.15K	-236.543697
Nuclear repulsion energy	62.622369

Number	Element	Mulliken
1	C	0.117
2	F	-0.058
3	F	-0.058

	x	y	z	Total
	0.000	0.000	-0.816	0.816
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

	C1	F2	F3
C1		1.3086	1.3086
F2	1.3086		2.2619
F3	1.3086	2.2619

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: LSDA/6-311G*

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)