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	hartrees
Energy at 0K	-93.437546
Energy at 298.15K	-93.437648
HF Energy	-93.437546
Nuclear repulsion energy	23.832164

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	3446	3446	67.37	28.46	0.24	0.38
2	Σ	2186	2186	1.44	66.83	0.07	0.12
3	Π	727	727	37.52	0.23	0.75	0.86
3	Π	727	727	37.52	0.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.575
N3	0.000	0.000	0.655

	C1	H2	N3
C1		1.0735	1.1568
H2	1.0735		2.2303
N3	1.1568	2.2303

Number	Element	Mulliken
1	C	0.547
2	H	-0.378
3	N	-0.169

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

using model chemistry: B3LYP/daug-cc-pVDZ

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>	14.000
(<r²>)^1/2	3.742