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	hartrees
Energy at 0K	-333.148734
Energy at 298.15K
HF Energy	-333.148734
Nuclear repulsion energy	53.769130

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	2128	2109	100.88	60.67	0.11	0.20
2	Σ	471	467	124.86	26.94	0.72	0.84
3	Π	243	241	5.34	9.79	0.75	0.86
3	Π	243	241	5.34	9.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.343
C2	0.000	0.000	-0.704
N3	0.000	0.000	-1.891

	Al1	C2	N3
Al1		2.0471	3.2345
C2	2.0471		1.1874
N3	3.2345	1.1874

Number	Element	Mulliken
1	Al	0.487
2	C	-0.099
3	N	-0.387

All results from a given calculation for AlCN (Aluminum monocyanide)

using model chemistry: PBEPBE/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>	67.405
(<r²>)^1/2	8.210