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	hartrees
Energy at 0K	-684.352502
Energy at 298.15K
HF Energy	-684.196590
Nuclear repulsion energy	69.289132

Atom	x (Å)	y (Å)
K1	0.000	1.007
C2	0.660	-1.415
N3	-0.566	-1.519

	K1	C2	N3
K1		2.5101	2.5886
C2	2.5101		1.2299
N3	2.5886	1.2299

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	C2	N3	79.624		K1	N3	C2	72.513
C2	K1	N3	27.863

Number	Element	Mulliken
1	K	0.578
2	C	-0.178
3	N	-0.400

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

using model chemistry: ROMP2/STO-3G

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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<r²>	66.507
(<r²>)^1/2	8.155