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	hartrees
Energy at 0K	-692.831506
Energy at 298.15K	-692.830855
HF Energy	-692.831506
Nuclear repulsion energy	60.912766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2204	2121	1.25
2	Σ	274	264	64.12
3	Π	72	70	8.53
3	Π	72	70	8.53

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	1.303
C2	0.000	0.000	-1.285
N3	0.000	0.000	-2.436

	K1	C2	N3
K1		2.5879	3.7387
C2	2.5879		1.1509
N3	3.7387	1.1509

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	C2	N3	180.000		K1	N3	C2	0.000
C2	K1	N3	0.000

All results from a given calculation for KCN (Potassium cyanide)

using model chemistry: B3LYP/Def2TZVPP

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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Number	Element	Mulliken
1	K	0.791
2	C	-0.610
3	N	-0.180

	x	y	z	Total
	0.000	0.000	12.347	12.347
CHELPG
AIM
ESP

<r²>	101.264
(<r²>)^1/2	10.063