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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	-237.711833
Energy at 298.15K	-237.711605
HF Energy	-237.711833
Nuclear repulsion energy	64.182490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1227	1227	113.34
2	A₁	661	661	2.81
3	B₂	1123	1123	350.45

Atom	y (Å)	z (Å)
C1	0.000	0.605
F2	1.037	-0.202
F3	-1.037	-0.202

	C1	F2	F3
C1		1.3135	1.3135
F2	1.3135		2.0736
F3	1.3135	2.0736

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: B3LYP/cc-pCVDZ

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	-237.628343
Energy at 298.15K	-237.628026
Nuclear repulsion energy	61.820401

Number	Element	Mulliken
1	C	0.159
2	F	-0.079
3	F	-0.079

	x	y	z	Total
	0.000	0.000	-0.620	0.620
CHELPG
AIM
ESP

<r²>	31.904
(<r²>)^1/2	5.648

	C1	F2	F3
C1		1.3254	1.3254
F2	1.3254		2.2920
F3	1.3254	2.2920

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: B3LYP/cc-pCVDZ

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)