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	hartrees
Energy at 0K	-93.259213
Energy at 298.15K	-93.259333
HF Energy	-92.909491
Nuclear repulsion energy	23.972652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3472	3323	69.91
2	Σ	2192	2098	0.80
3	Π	751	718	34.56
3	Π	751	718	34.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.499
H2	0.000	0.000	-1.564
N3	0.000	0.000	0.651

	C1	H2	N3
C1		1.0644	1.1508
H2	1.0644		2.2152
N3	1.1508	2.2152

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

using model chemistry: CCD/aug-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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