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	hartrees
Energy at 0K	-254.494021
Energy at 298.15K	-254.493711
HF Energy	-254.173604
Nuclear repulsion energy	50.985870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2070	2070
2	A'	366	366
3	A'	155	155

Atom	x (Å)	y (Å)
C1	1.123	0.682
N2	0.000	1.089
Na3	-0.612	-1.065

	C1	N2	Na3
C1		1.1944	2.4624
N2	1.1944		2.2400
Na3	2.4624	2.2400

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	Na3	85.916		C1	Na3	N2	28.936
N2	C1	Na3	65.147

All results from a given calculation for NaCN (Sodium Cyanide)

using model chemistry: QCISD(TQ)=FULL/6-31+G**

States and conformations

Conformer 1 (C*V)

Conformer 2 (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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