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	hartrees
Energy at 0K	-335.062836
Energy at 298.15K
HF Energy	-334.948773
Nuclear repulsion energy	53.979129

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	2162	2072	100.37	59.59	0.12	0.22
2	Σ	456	436	149.79	18.88	0.69	0.81
3	Π	156	149	4.65	8.13	0.75	0.86
3	Π	156	149	4.65	8.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.340
C2	0.000	0.000	-0.705
N3	0.000	0.000	-1.884

	Al1	C2	N3
Al1		2.0447	3.2235
C2	2.0447		1.1789
N3	3.2235	1.1789

Number	Element	Mulliken
1	Al	0.346
2	C	-0.271
3	N	-0.075

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

using model chemistry: B2PLYP=FULLultrafine/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>	66.870
(<r²>)^1/2	8.177