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	hartrees
Energy at 0K	-93.234552
Energy at 298.15K	-93.234692
HF Energy	-92.912775
Nuclear repulsion energy	24.091495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3521	3521	70.37
2	Σ	2248	2248	2.02
3	Π	780	780	35.74
3	Π	780	780	35.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.496
H2	0.000	0.000	-1.558
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0620	1.1443
H2	1.0620		2.2063
N3	1.1443	2.2063

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

using model chemistry: CISD/Def2TZVPP

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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