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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	-236.690661
Energy at 298.15K	-236.690476
HF Energy	-236.690661
Nuclear repulsion energy	65.524043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1332	1213	150.73
2	A₁	723	658	5.41
3	B₂	1223	1114	424.18

Atom	y (Å)	z (Å)
C1	0.000	0.590
F2	1.017	-0.197
F3	-1.017	-0.197

	C1	F2	F3
C1		1.2857	1.2857
F2	1.2857		2.0340
F3	1.2857	2.0340

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: HF/aug-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	-236.640556
Energy at 298.15K	-236.640279
Nuclear repulsion energy	62.897031

Number	Element	Mulliken
1	C	0.708
2	F	-0.354
3	F	-0.354

	x	y	z	Total
	0.000	0.000	-0.404	0.404
CHELPG
AIM
ESP

<r²>	31.360
(<r²>)^1/2	5.600

	C1	F2	F3
C1		1.3060	1.3060
F2	1.3060		2.2400
F3	1.3060	2.2400

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: HF/aug-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)