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	hartrees
Energy at 0K	-93.452019
Energy at 298.15K	-93.452163
HF Energy	-93.452019
Nuclear repulsion energy	24.000120

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	3457	3342	62.46	23.89	0.24	0.39
2	Σ	2201	2128	1.42	38.72	0.21	0.34
3	Π	786	760	36.77	0.43	0.75	0.86
3	Π	786	760	36.77	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.498
H2	0.000	0.000	-1.564
N3	0.000	0.000	0.650

	C1	H2	N3
C1		1.0663	1.1486
H2	1.0663		2.2149
N3	1.1486	2.2149

Number	Element	Mulliken
1	C	0.038
2	H	0.178
3	N	-0.217

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

using model chemistry: B3LYP/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>	13.763
(<r²>)^1/2	3.710