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	hartrees
Energy at 0K	-93.393642
Energy at 298.15K	-93.393779
HF Energy	-93.393642
Nuclear repulsion energy	23.887230

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	3502	3333	59.73	25.58	0.22	0.36
2	Σ	2239	2130	2.46	34.93	0.24	0.39
3	Π	780	742	37.96	0.09	0.75	0.86
3	Π	780	742	37.96	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.569
N3	0.000	0.000	0.654

	C1	H2	N3
C1		1.0683	1.1546
H2	1.0683		2.2230
N3	1.1546	2.2230

Number	Element	Mulliken
1	C	0.141
2	H	0.241
3	N	-0.382

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

using model chemistry: mPW1PW91/6-31G**

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>	13.669
(<r²>)^1/2	3.697