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	hartrees
Energy at 0K	-93.430138
Energy at 298.15K
HF Energy	-93.430138
Nuclear repulsion energy	24.108786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3454	3454	67.79
2	Σ	2233	2233	2.20
3	Π	753	753	37.07
3	Π	753	753	37.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.562
N3	0.000	0.000	0.647

	C1	H2	N3
C1		1.0665	1.1424
H2	1.0665		2.2089
N3	1.1424	2.2089

Number	Element	Mulliken
1	C	-0.121
2	H	0.178
3	N	-0.057

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

using model chemistry: wB97X-D/cc-pCVQZ

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>	13.704
(<r²>)^1/2	3.702