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	hartrees
Energy at 0K	-93.231211
Energy at 298.15K	-93.231358
HF Energy	-92.908344
Nuclear repulsion energy	24.097955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3518	3243	71.46
2	Σ	2245	2069	2.23
3	Π	790	728	34.89
3	Π	790	728	34.89

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		1.0625	1.1438
H2	1.0625		2.2063
N3	1.1438	2.2063

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

using model chemistry: CISD/6-311+G(3df,2p)

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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