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	hartrees
Energy at 0K	-93.347062
Energy at 298.15K	-93.347169
HF Energy	-93.347062
Nuclear repulsion energy	23.802903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3357	3357	55.09
2	Σ	2120	2120	0.06
3	Π	733	733	36.42
3	Π	733	733	36.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.578
N3	0.000	0.000	0.656

	C1	H2	N3
C1		1.0754	1.1581
H2	1.0754		2.2335
N3	1.1581	2.2335

Number	Element	Mulliken
1	C	-0.109
2	H	0.183
3	N	-0.074

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

using model chemistry: PBEPBE/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>	13.912
(<r²>)^1/2	3.730