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	hartrees
Energy at 0K	-331.091193
Energy at 298.15K
HF Energy	-331.091193
Nuclear repulsion energy	54.258693

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	2329	2047	117.24	20.55	0.27	0.42
2	Σ	544	478	130.55	9.31	0.33	0.49
3	Π	181	159	0.65	2.21	0.75	0.86
3	Π	181	159	0.65	2.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.324
C2	0.000	0.000	-0.682
N3	0.000	0.000	-1.875

	Al1	C2	N3
Al1		2.0056	3.1989
C2	2.0056		1.1933
N3	3.1989	1.1933

Number	Element	Mulliken
1	Al	0.532
2	C	-0.271
3	N	-0.262

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

using model chemistry: mPW1PW91/STO-3G

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>	62.556
(<r²>)^1/2	7.909