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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	-235.695740
Energy at 298.15K	-235.695486
HF Energy	-235.373209
Nuclear repulsion energy	62.439986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1221	1166	102.34
2	A₁	617	589	8.77
3	B₂	1167	1114	263.59

Atom	y (Å)	z (Å)
C1	0.000	0.621
F2	1.066	-0.207
F3	-1.066	-0.207

	C1	F2	F3
C1		1.3499	1.3499
F2	1.3499		2.1321
F3	1.3499	2.1321

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: MP2=FULL/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	-235.625132
Energy at 298.15K	-235.624800
Nuclear repulsion energy	60.059988

	C1	F2	F3
C1		1.3608	1.3608
F2	1.3608		2.3730
F3	1.3608	2.3730

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: MP2=FULL/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)