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	hartrees
Energy at 0K	-93.463741
Energy at 298.15K	-93.463874
HF Energy	-93.463741
Nuclear repulsion energy	24.054382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3440	3440	64.13
2	Σ	2202	2202	1.08
3	Π	766	766	35.62
3	Π	766	766	35.62

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		1.0659	1.1456
H2	1.0659		2.2115
N3	1.1456	2.2115

Number	Element	Mulliken
1	C	-0.071
2	H	0.160
3	N	-0.089

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

using model chemistry: B3LYP/cc-pCVTZ

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>	13.772
(<r²>)^1/2	3.711