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	hartrees
Energy at 0K	-94.182030
Energy at 298.15K
HF Energy	-94.182030
Nuclear repulsion energy	27.221133

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	2391	2152	38.91	73.06	0.12	0.22
2	Σ	456	410	184.60	16.93	0.72	0.84
3	Π	238	214	4.87	19.29	0.75	0.86
3	Π	238	214	4.87	19.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.337
C2	0.000	0.000	-0.711
N3	0.000	0.000	-1.874

	Al1	C2	N3
Al1		2.0487	3.2117
C2	2.0487		1.1629
N3	3.2117	1.1629

Number	Element	Mulliken
1	Al	0.677
2	C	-0.634
3	N	-0.043

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

using model chemistry: HF/LANL2DZ

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>	48.571
(<r²>)^1/2	6.969