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	hartrees
Energy at 0K	-690.924708
Energy at 298.15K	-690.924571
HF Energy	-690.924708
Nuclear repulsion energy	68.137117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2118	2094	15.68
2	A'	295	291	54.61
3	A'	163	161	4.65

Atom	x (Å)	y (Å)
K1	0.000	1.054
C2	0.628	-1.604
N3	-0.539	-1.486

	K1	C2	N3
K1		2.7317	2.5962
C2	2.7317		1.1732
N3	2.5962	1.1732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	C2	N3	70.891		K1	N3	C2	83.833
C2	K1	N3	25.276

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

using model chemistry: LSDA/TZVP

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	0.833
2	C	-0.444
3	N	-0.388

	x	y	z	Total
	-0.456	10.844	0.000	10.854
CHELPG
AIM
ESP

	x	y	z
x	4.621	-0.214	-0.000
y	-0.214	4.633	-0.000
z	-0.000	-0.000	3.253

<r²>	72.609
(<r²>)^1/2	8.521