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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	-236.909516
Energy at 298.15K	-236.909200
HF Energy	-236.569117
Nuclear repulsion energy	61.092256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1092	1052	133.58
2	A₁	570	549	6.04
3	B₂	1032	995	283.50

Atom	y (Å)	z (Å)
C1	0.000	0.644
F2	1.084	-0.215
F3	-1.084	-0.215

	C1	F2	F3
C1		1.3828	1.3828
F2	1.3828		2.1688
F3	1.3828	2.1688

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: QCISD/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	-236.843725
Energy at 298.15K	-236.843342
Nuclear repulsion energy	59.169416

	C1	F2	F3
C1		1.3838	1.3838
F2	1.3838		2.3988
F3	1.3838	2.3988

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: QCISD/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)