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	hartrees
Energy at 0K	-191.621238
Energy at 298.15K	-191.620661
HF Energy	-191.621238
Nuclear repulsion energy	56.383315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2196	2196	1.13
2	Σ	981	981	119.49
3	Π	285	285	0.41
3	Π	285	285	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.382
N2	0.000	0.000	-0.206
F3	0.000	0.000	1.082

	C1	N2	F3
C1		1.1765	2.4639
N2	1.1765		1.2875
F3	2.4639	1.2875

Number	Element	Mulliken
1	C	0.238
2	N	-0.038
3	F	-0.200

All results from a given calculation for CNF (iso cyanogen fluoride)

using model chemistry: SVWN/6-311+G(3df,2p)

States and conformations

	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

	x	y	z
x	2.389	0.000	0.004
y	0.000	2.389	-0.000
z	0.004	-0.000	4.551

<r²>	32.842
(<r²>)^1/2	5.731