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	hartrees
Energy at 0K	-93.231627
Energy at 298.15K	-93.231769
HF Energy	-92.912950
Nuclear repulsion energy	24.122769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3527	3527	72.25
2	Σ	2263	2263	2.16
3	Π	784	784	35.57
3	Π	784	784	35.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.557
N3	0.000	0.000	0.647

	C1	H2	N3
C1		1.0618	1.1426
H2	1.0618		2.2043
N3	1.1426	2.2043

All results from a given calculation for HCN (Hydrogen cyanide)

using model chemistry: CID/Def2TZVPP

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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