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	hartrees
Energy at 0K	-690.809521
Energy at 298.15K	-690.809365
HF Energy	-690.809521
Nuclear repulsion energy	68.136742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2038	1996	15.40
2	A'	305	299	46.82
3	A'	147	144	3.04

Atom	x (Å)	y (Å)
K1	0.000	1.044
C2	0.641	-1.599
N3	-0.549	-1.464

	K1	C2	N3
K1		2.7198	2.5682
C2	2.7198		1.1981
N3	2.5682	1.1981

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	C2	N3	69.926		K1	N3	C2	84.087
C2	K1	N3	25.986

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

using model chemistry: LSDA/6-31G

States and conformations

Conformer 1 (C*V)

Conformer 2 (C*V)

Conformer 3 (CS)

	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	0.620
2	C	-0.180
3	N	-0.440

	x	y	z	Total
	-0.398	10.373	0.000	10.380
CHELPG
AIM
ESP

	x	y	z
x	4.774	0.055	0.000
y	0.055	4.522	0.000
z	0.000	0.000	3.695

<r²>	71.885
(<r²>)^1/2	8.479