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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C2V	¹A₁
2	1	yes	C2V	³B₁

	hartrees
Energy at 0K	-237.401597
Energy at 298.15K
HF Energy	-236.756250
Nuclear repulsion energy	65.152244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1302	1302	126.98
2	A₁	695	695	3.96
3	B₂	1207	1207	388.71

Atom	y (Å)	z (Å)
C1	0.000	0.590
F2	1.025	-0.197
F3	-1.025	-0.197

	C1	F2	F3
C1		1.2919	1.2919
F2	1.2919		2.0494
F3	1.2919	2.0494

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: CCD/cc-pCVTZ

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	-237.314501
Energy at 298.15K	-237.314210
Nuclear repulsion energy	62.659475

	C1	F2	F3
C1		1.3084	1.3084
F2	1.3084		2.2586
F3	1.3084	2.2586

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: CCD/cc-pCVTZ

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)