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	hartrees
Energy at 0K	-93.188743
Energy at 298.15K	-93.188842
HF Energy	-92.885966
Nuclear repulsion energy	23.647064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3447	3447	66.72
2	Σ	2158	2158	0.34
3	Π	725	725	36.36
3	Π	725	725	36.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.585
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0785	1.1665
H2	1.0785		2.2450
N3	1.1665	2.2450

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

using model chemistry: CCD/daug-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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