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	hartrees
Energy at 0K	-335.053295
Energy at 298.15K
HF Energy	-334.934455
Nuclear repulsion energy	54.141627

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	2169	2063	96.96	76.37	0.10	0.19
2	Σ	455	433	172.48	19.76	0.72	0.84
3	Π	163	155	4.74	10.58	0.75	0.86
3	Π	163	155	4.74	10.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.335
C2	0.000	0.000	-0.701
N3	0.000	0.000	-1.878

	Al1	C2	N3
Al1		2.0355	3.2130
C2	2.0355		1.1774
N3	3.2130	1.1774

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

using model chemistry: B2PLYP=FULL/6-31+G**

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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