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	hartrees
Energy at 0K	-93.414675
Energy at 298.15K
HF Energy	-92.914300
Nuclear repulsion energy	23.891525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3439	3439
2	Σ	2126	2126
3	Π	726	726
3	Π	726	726

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.567
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0659	1.1545
H2	1.0659		2.2204
N3	1.1545	2.2204

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

using model chemistry: QCISD(T)=FULL/cc-pCVQZ

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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