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	hartrees
Energy at 0K	-254.571648
Energy at 298.15K
HF Energy	-254.222891
Nuclear repulsion energy	51.438560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	375	375	70.07
2	A'	177	177	9.63
3	A'	2132	2132	24.02

Atom	x (Å)	y (Å)
C1	1.093	0.672
N2	0.000	1.102
Na3	-0.596	-1.068

	C1	N2	Na3
C1		1.1744	2.4243
N2	1.1744		2.2502
Na3	2.4243	2.2502

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	Na3	83.856		C1	Na3	N2	28.794
N2	C1	Na3	67.350

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

using model chemistry: CCD/aug-cc-pCVTZ

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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