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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	-237.396380
Energy at 298.15K	-237.396173
HF Energy	-236.755044
Nuclear repulsion energy	64.948582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1287	1211	122.86
2	A₁	687	647	3.70
3	B₂	1194	1124	380.70

Atom	y (Å)	z (Å)
C1	0.000	0.592
F2	1.028	-0.197
F3	-1.028	-0.197

	C1	F2	F3
C1		1.2961	1.2961
F2	1.2961		2.0553
F3	1.2961	2.0553

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: CCSD/cc-pVTZ

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	-237.309877
Energy at 298.15K	-237.309580
Nuclear repulsion energy	62.496098

	C1	F2	F3
C1		1.3119	1.3119
F2	1.3119		2.2642
F3	1.3119	2.2642

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: CCSD/cc-pVTZ

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)