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	hartrees
Energy at 0K	-93.234564
Energy at 298.15K	-93.234745
HF Energy	-92.883120
Nuclear repulsion energy	23.932406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3536	3329	62.85
2	Σ	2190	2062	0.99
3	Π	846	797	28.96
3	Π	846	797	28.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.500
H2	0.000	0.000	-1.563
N3	0.000	0.000	0.652

	C1	H2	N3
C1		1.0631	1.1514
H2	1.0631		2.2145
N3	1.1514	2.2145

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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