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	hartrees
Energy at 0K	-330.310118
Energy at 298.15K
HF Energy	-330.109405
Nuclear repulsion energy	53.727526

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	1969	1750	142.71	5.37	0.20	0.34
2	Σ	563	500	121.94	10.63	0.33	0.49
3	Π	206	183	0.31	1.19	0.75	0.86
3	Π	206	183	0.31	1.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.328
C2	0.000	0.000	-0.667
N3	0.000	0.000	-1.895

	Al1	C2	N3
Al1		1.9947	3.2230
C2	1.9947		1.2283
N3	3.2230	1.2283

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

using model chemistry: MP2=FULL/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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