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	hartrees
Energy at 0K	-93.460428
Energy at 298.15K	-93.460554
HF Energy	-93.460428
Nuclear repulsion energy	24.046809

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	3436	3436	67.26	25.75	0.23	0.38
2	Σ	2200	2200	1.46	59.49	0.08	0.15
3	Π	761	761	36.59	0.43	0.75	0.86
3	Π	761	761	36.59	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.497
H2	0.000	0.000	-1.563
N3	0.000	0.000	0.649

	C1	H2	N3
C1		1.0663	1.1460
H2	1.0663		2.2122
N3	1.1460	2.2122

Number	Element	Mulliken
1	C	0.382
2	H	0.290
3	N	-0.672

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

using model chemistry: B3LYPultrafine/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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<r²>	13.858
(<r²>)^1/2	3.723