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	hartrees
Energy at 0K	-92.866035
Energy at 298.15K	-92.866246
HF Energy	-92.866035
Nuclear repulsion energy	23.776748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3499	3363	57.81
2	Σ	2175	2090	0.38
3	Π	902	867	59.05
3	Π	902	867	59.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.505
H2	0.000	0.000	-1.570
N3	0.000	0.000	0.657

	C1	H2	N3
C1		1.0649	1.1617
H2	1.0649		2.2266
N3	1.1617	2.2266

Number	Element	Mulliken
1	C	0.069
2	H	0.335
3	N	-0.403

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

using model chemistry: B3PW91/3-21G

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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	x	y	z
x	0.920	0.000	0.000
y	0.000	0.920	-0.000
z	0.000	-0.000	2.719

<r²>	13.826
(<r²>)^1/2	3.718