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	hartrees
Energy at 0K	-93.410030
Energy at 298.15K	-93.410174
HF Energy	-93.410030
Nuclear repulsion energy	24.063112

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	3483	3483	58.29	20.84	0.27	0.42
2	Σ	2257	2257	3.11	39.48	0.21	0.34
3	Π	789	789	38.76	0.43	0.75	0.86
3	Π	789	789	38.76	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.496
H2	0.000	0.000	-1.564
N3	0.000	0.000	0.649

	C1	H2	N3
C1		1.0682	1.1447
H2	1.0682		2.2128
N3	1.1447	2.2128

Number	Element	Mulliken
1	C	-0.053
2	H	0.316
3	N	-0.263

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

using model chemistry: M06-2X/6-311G*

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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<r²>	13.728
(<r²>)^1/2	3.705