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	hartrees
Energy at 0K	-93.343087
Energy at 298.15K	-93.343213
HF Energy	-92.915472
Nuclear repulsion energy	24.047970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3485	3485	67.64
2	Σ	2200	2200	0.82
3	Π	761	761	34.08
3	Π	761	761	34.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.497
H2	0.000	0.000	-1.560
N3	0.000	0.000	0.649

	C1	H2	N3
C1		1.0627	1.1466
H2	1.0627		2.2093
N3	1.1466	2.2093

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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