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	hartrees
Energy at 0K	-335.245982
Energy at 298.15K
HF Energy	-335.245982
Nuclear repulsion energy	54.222006

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	2279	2191	79.04	65.45	0.13	0.23
2	Σ	452	434	152.91	18.09	0.70	0.82
3	Π	141	135	4.82	8.64	0.75	0.86
3	Π	141	135	4.82	8.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.337
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.875

	Al1	C2	N3
Al1		2.0457	3.2122
C2	2.0457		1.1664
N3	3.2122	1.1664

Number	Element	Mulliken
1	Al	0.343
2	C	-0.250
3	N	-0.093

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

using model chemistry: B1B95/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>	66.373
(<r²>)^1/2	8.147