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	hartrees
Energy at 0K	-15.892070
Energy at 298.15K	-15.892157
HF Energy	-15.669844
Nuclear repulsion energy	11.865386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3390	3308	48.30	41.42	0.24	0.39
2	Σ	1822	1778	1.50	29.02	0.15	0.26
3	Π	711	694	68.35	0.30	0.75	0.86
3	Π	711	694	68.35	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
H2	0.000	0.000	-1.603
N3	0.000	0.000	0.682

	C1	H2	N3
C1		1.0745	1.2112
H2	1.0745		2.2857
N3	1.2112	2.2857

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

using model chemistry: MP2/CEP-121G

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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