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	hartrees
Energy at 0K	-687.372204
Energy at 298.15K	-687.372084
HF Energy	-687.372204
Nuclear repulsion energy	69.356879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2038	2001	12.82
2	A'	337	331	42.37
3	A'	146	143	6.48

Atom	x (Å)	y (Å)
K1	0.000	1.022
C2	0.633	-1.603
N3	-0.542	-1.399

	K1	C2	N3
K1		2.6996	2.4810
C2	2.6996		1.1922
N3	2.4810	1.1922

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	C2	N3	66.624		K1	N3	C2	87.204
C2	K1	N3	26.172

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

using model chemistry: LSDA/3-21G*

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	0.421
2	C	-0.013
3	N	-0.408

	x	y	z	Total
	-0.464	9.645	0.000	9.657
CHELPG
AIM
ESP

	x	y	z
x	4.700	-0.144	0.000
y	-0.144	4.490	0.000
z	0.000	0.000	3.668

<r²>	69.608
(<r²>)^1/2	8.343