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	hartrees
Energy at 0K	-93.195492
Energy at 298.15K	-93.195593
HF Energy	-92.885376
Nuclear repulsion energy	23.620845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3446	3446	63.12
2	Σ	2143	2143	0.27
3	Π	728	728	36.56
3	Π	728	728	36.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.507
H2	0.000	0.000	-1.586
N3	0.000	0.000	0.661

	C1	H2	N3
C1		1.0791	1.1679
H2	1.0791		2.2470
N3	1.1679	2.2470

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

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

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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