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	hartrees
Energy at 0K	-683.474941
Energy at 298.15K	-683.475004
HF Energy	-683.474941
Nuclear repulsion energy	70.309541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2055	1840	17.59
2	A'	409	367	26.87
3	A'	272	244	0.90

Atom	x (Å)	y (Å)
K1	0.000	0.989
C2	0.657	-1.429
N3	-0.563	-1.459

	K1	C2	N3
K1		2.5052	2.5123
C2	2.5052		1.2202
N3	2.5123	1.2202

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	C2	N3	76.245		K1	N3	C2	75.606
C2	K1	N3	28.149

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

using model chemistry: LSDA/STO-3G

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	0.439
2	C	-0.136
3	N	-0.303

	x	y	z	Total
	-0.378	7.202	0.000	7.212
CHELPG
AIM
ESP

	x	y	z
x	2.341	-0.301	0.000
y	-0.301	5.777	0.000
z	0.000	0.000	1.822

<r²>	64.890
(<r²>)^1/2	8.055