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	hartrees
Energy at 0K	-335.073976
Energy at 298.15K
HF Energy	-334.955200
Nuclear repulsion energy	53.837191

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	2145	2065	100.26	89.25	0.08	0.15
2	Σ	439	423	171.98	20.01	0.66	0.79
3	Π	135	129	6.15	6.55	0.75	0.86
3	Π	135	129	6.15	6.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.345
C2	0.000	0.000	-0.710
N3	0.000	0.000	-1.889

	Al1	C2	N3
Al1		2.0544	3.2333
C2	2.0544		1.1789
N3	3.2333	1.1789

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

using model chemistry: B2PLYP=FULLultrafine/aug-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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