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	hartrees
Energy at 0K	-93.378247
Energy at 298.15K	-93.374744
HF Energy	-93.422617
Nuclear repulsion energy	23.837578

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	3481	3343	52.48	27.59	0.24	0.39
2	Σ	2214	2126	1.97	33.90	0.25	0.39
3	Π	767	736	35.50	0.05	0.75	0.86
3	Π	767	736	35.50	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.573
N3	0.000	0.000	0.655

	C1	H2	N3
C1		1.0705	1.1571
H2	1.0705		2.2275
N3	1.1571	2.2275

Number	Element	Mulliken
1	C	0.109
2	H	0.250
3	N	-0.358

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

using model chemistry: G3B3

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	z	Total
	-2.905	2.905
CHELPG	-2.850	2.850
AIM	1.990	1.990
ESP	-2.872	2.872

<r²>	13.720
(<r²>)^1/2	3.704