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	hartrees
Energy at 0K	-254.493313
Energy at 298.15K	-254.493045
HF Energy	-254.189096
Nuclear repulsion energy	51.005993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	2048	2048
2	A'	373	373
3	A'	175	175

Atom	x (Å)	y (Å)
C1	1.108	0.652
N2	0.000	1.111
Na3	-0.604	-1.063

	C1	N2	Na3
C1		1.1993	2.4231
N2	1.1993		2.2567
Na3	2.4231	2.2567

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	Na3	83.005		C1	Na3	N2	29.422
N2	C1	Na3	67.573

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

using model chemistry: QCISD(TQ)/cc-pVDZ

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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