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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	-237.648225
Energy at 298.15K	-237.647996
HF Energy	-237.648225
Nuclear repulsion energy	64.510382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1246	1186	131.88
2	A₁	666	634	3.65
3	B₂	1142	1087	410.48

Atom	y (Å)	z (Å)
C1	0.000	0.601
F2	1.032	-0.200
F3	-1.032	-0.200

	C1	F2	F3
C1		1.3067	1.3067
F2	1.3067		2.0634
F3	1.3067	2.0634

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: mPW1PW91/6-31+G**

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	-237.572870
Energy at 298.15K	-237.572555
Nuclear repulsion energy	62.194989

Number	Element	Mulliken
1	C	0.324
2	F	-0.162
3	F	-0.162

	x	y	z	Total
	0.000	0.000	-0.519	0.519
CHELPG
AIM
ESP

<r²>	32.039
(<r²>)^1/2	5.660

	C1	F2	F3
C1		1.3181	1.3181
F2	1.3181		2.2757
F3	1.3181	2.2757

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)