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	hartrees
Energy at 0K	-335.075128
Energy at 298.15K
HF Energy	-334.955669
Nuclear repulsion energy	53.853289

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	2146	2146	101.02	93.53	0.07	0.13
2	Σ	438	438	171.90	18.67	0.66	0.79
3	Π	134	134	6.20	6.26	0.75	0.86
3	Π	134	134	6.20	6.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.344
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.888

	Al1	C2	N3
Al1		2.0535	3.2323
C2	2.0535		1.1788
N3	3.2323	1.1788

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

using model chemistry: B2PLYP=FULL/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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