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	hartrees
Energy at 0K	-92.875592
Energy at 298.15K	-92.875806
HF Energy	-92.875592
Nuclear repulsion energy	23.824518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3520	3342	59.85	24.42	0.22	0.36
2	Σ	2195	2084	0.60	27.15	0.26	0.41
3	Π	910	865	59.48	0.08	0.75	0.86
3	Π	910	865	59.48	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.504
H2	0.000	0.000	-1.567
N3	0.000	0.000	0.656

	C1	H2	N3
C1		1.0632	1.1593
H2	1.0632		2.2225
N3	1.1593	2.2225

Number	Element	Mulliken
1	C	0.069
2	H	0.339
3	N	-0.409

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

using model chemistry: mPW1PW91/3-21G*

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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<r²>	13.802
(<r²>)^1/2	3.715