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	hartrees
Energy at 0K	-93.346693
Energy at 298.15K	-93.346817
HF Energy	-93.247123
Nuclear repulsion energy	23.672879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3477	3477	67.98
2	Σ	2121	2121	0.32
3	Π	753	753	34.87
3	Π	753	753	34.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.582
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0762	1.1655
H2	1.0762		2.2416
N3	1.1655	2.2416

Number	Element	Mulliken
1	C	-0.013
2	H	0.101
3	N	-0.088

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

using model chemistry: B2PLYP/cc-pCVDZ

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>	13.899
(<r²>)^1/2	3.728