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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	-237.261175
Energy at 298.15K	-237.260958
HF Energy	-236.723694
Nuclear repulsion energy	64.667190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1267	1213	128.47
2	A₁	680	651	4.43
3	B₂	1172	1122	377.66

Atom	y (Å)	z (Å)
C1	0.000	0.596
F2	1.031	-0.199
F3	-1.031	-0.199

	C1	F2	F3
C1		1.3023	1.3023
F2	1.3023		2.0626
F3	1.3023	2.0626

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: QCISD/6-311G*

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	-237.176476
Energy at 298.15K	-237.176170
Nuclear repulsion energy	62.198711

	C1	F2	F3
C1		1.3178	1.3178
F2	1.3178		2.2765
F3	1.3178	2.2765

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: QCISD/6-311G*

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CF₂ (Difluoromethylene)

State 1 (¹A₁)

State 2 (³B₁)