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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	-236.393388
Energy at 298.15K	-236.393117
HF Energy	-236.393388
Nuclear repulsion energy	62.452850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1184	1139	95.02
2	A₁	603	580	6.77
3	B₂	1126	1083	223.79

Atom	y (Å)	z (Å)
C1	0.000	0.625
F2	1.064	-0.208
F3	-1.064	-0.208

	C1	F2	F3
C1		1.3510	1.3510
F2	1.3510		2.1271
F3	1.3510	2.1271

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: B3LYP/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	-236.316098
Energy at 298.15K	-236.315746
Nuclear repulsion energy	60.224567

Number	Element	Mulliken
1	C	0.499
2	F	-0.250
3	F	-0.250

	x	y	z	Total
	0.000	0.000	-0.525	0.525
CHELPG
AIM
ESP

<r²>	33.142
(<r²>)^1/2	5.757

	C1	F2	F3
C1		1.3572	1.3572
F2	1.3572		2.3664
F3	1.3572	2.3664

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: B3LYP/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)