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	hartrees
Energy at 0K	-93.284539
Energy at 298.15K
HF Energy	-92.915028
Nuclear repulsion energy	23.980010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3462	3462	65.25
2	Σ	2175	2175	0.66
3	Π	747	747	34.93
3	Π	747	747	34.93

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		1.0649	1.1500
H2	1.0649		2.2149
N3	1.1500	2.2149

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

using model chemistry: QCISD/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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