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	hartrees
Energy at 0K	-91.839045
Energy at 298.15K	-91.839101
HF Energy	-91.661664
Nuclear repulsion energy	22.689044

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	3672	3264	95.16	25.45	0.31	0.47
2	Σ	1901	1690	7.70	8.22	0.21	0.34
3	Π	758	674	22.16	0.17	0.75	0.86
3	Π	758	674	22.16	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.534
H2	0.000	0.000	-1.621
N3	0.000	0.000	0.689

	C1	H2	N3
C1		1.0874	1.2234
H2	1.0874		2.3109
N3	1.2234	2.3109

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

using model chemistry: MP2=FULL/STO-3G

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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