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	hartrees
Energy at 0K	-93.433083
Energy at 298.15K	-93.433221
HF Energy	-93.433083
Nuclear repulsion energy	23.816568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3461	3461	64.31
2	Σ	2198	2198	1.88
3	Π	771	771	34.12
3	Π	771	771	34.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.579
N3	0.000	0.000	0.655

	C1	H2	N3
C1		1.0770	1.1569
H2	1.0770		2.2340
N3	1.1569	2.2340

Number	Element	Mulliken
1	C	-0.009
2	H	0.088
3	N	-0.079

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

using model chemistry: B3LYPultrafine/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>	13.779
(<r²>)^1/2	3.712