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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	-237.563942
Energy at 298.15K	-237.563654
HF Energy	-237.563942
Nuclear repulsion energy	62.123031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1143	1082	137.40
2	A₁	593	562	5.93
3	B₂	1072	1015	297.21

Atom	y (Å)	z (Å)
C1	0.000	0.633
F2	1.067	-0.211
F3	-1.067	-0.211

	C1	F2	F3
C1		1.3598	1.3598
F2	1.3598		2.1331
F3	1.3598	2.1331

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: mPW1PW91/6-31G

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	-237.497946
Energy at 298.15K	-237.497585
Nuclear repulsion energy	60.223957

Number	Element	Mulliken
1	C	0.524
2	F	-0.262
3	F	-0.262

	x	y	z	Total
	0.000	0.000	-0.162	0.162
CHELPG
AIM
ESP

<r²>	33.550
(<r²>)^1/2	5.792

	C1	F2	F3
C1		1.3589	1.3589
F2	1.3589		2.3594
F3	1.3589	2.3594

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: mPW1PW91/6-31G

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)