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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	-237.139758
Energy at 298.15K	-237.139539
HF Energy	-236.670575
Nuclear repulsion energy	64.461901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1275	1188	148.15
2	A₁	676	630	4.68
3	B₂	1169	1089	438.76

Atom	y (Å)	z (Å)
C1	0.000	0.602
F2	1.032	-0.201
F3	-1.032	-0.201

	C1	F2	F3
C1		1.3078	1.3078
F2	1.3078		2.0645
F3	1.3078	2.0645

All results from a given calculation for CF₂ (Difluoromethylene)

using model chemistry: MP3=FULL/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	-237.057955
Energy at 298.15K	-237.057644
HF Energy	-236.620001
Nuclear repulsion energy	61.926539

	C1	F2	F3
C1		1.3212	1.3212
F2	1.3212		2.2818
F3	1.3212	2.2818

All results from a given calculation for CF2 (Difluoromethylene)

using model chemistry: MP3=FULL/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)