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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	-236.571036
Energy at 298.15K	-236.570807
HF Energy	-236.571036
Nuclear repulsion energy	64.553062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1237	1223	95.67
2	A₁	662	654	2.62
3	B₂	1156	1144	314.17

Atom	y (Å)	z (Å)
C1	0.000	0.602
F2	1.030	-0.201
F3	-1.030	-0.201

	C1	F2	F3
C1		1.3062	1.3062
F2	1.3062		2.0607
F3	1.3062	2.0607

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: LSDA/cc-pVDZ

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	-236.481077
Energy at 298.15K	-236.480764
Nuclear repulsion energy	62.389522

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

	x	y	z	Total
	0.000	0.000	-0.844	0.844
CHELPG
AIM
ESP

<r²>	31.624
(<r²>)^1/2	5.624

	C1	F2	F3
C1		1.3134	1.3134
F2	1.3134		2.2708
F3	1.3134	2.2708

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: LSDA/cc-pVDZ

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)