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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	-237.189121
Energy at 298.15K	-237.188893
HF Energy	-236.671595
Nuclear repulsion energy	64.103373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1243	1197
2	A₁	661	637
3	B₂	1160	1117

Atom	y (Å)	z (Å)
C1	0.000	0.602
F2	1.040	-0.201
F3	-1.040	-0.201

	C1	F2	F3
C1		1.3140	1.3140
F2	1.3140		2.0796
F3	1.3140	2.0796

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: CCSD(T)=FULL/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	-237.101666
Energy at 298.15K	-237.101351
Nuclear repulsion energy	61.717781

	C1	F2	F3
C1		1.3274	1.3274
F2	1.3274		2.2964
F3	1.3274	2.2964

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: CCSD(T)=FULL/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)