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	hartrees
Energy at 0K	-93.298156
Energy at 298.15K	-93.298262
HF Energy	-92.910023
Nuclear repulsion energy	24.031730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3464	3464	67.20
2	Σ	2200	2200	0.71
3	Π	738	738	34.49
3	Π	738	738	34.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.498
H2	0.000	0.000	-1.558
N3	0.000	0.000	0.650

	C1	H2	N3
C1		1.0600	1.1481
H2	1.0600		2.2081
N3	1.1481	2.2081

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

using model chemistry: CCSD=FULL/daug-cc-pVTZ

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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