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	hartrees
Energy at 0K	-335.048203
Energy at 298.15K
HF Energy	-335.048203
Nuclear repulsion energy	54.204451

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	2163	2163	98.72	99.22	0.07	0.13
2	Σ	446	446	156.03	22.85	0.64	0.78
3	Π	101	101	6.91	6.79	0.75	0.86
3	Π	101	101	6.91	6.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.336
C2	0.000	0.000	-0.705
N3	0.000	0.000	-1.876

	Al1	C2	N3
Al1		2.0412	3.2116
C2	2.0412		1.1705
N3	3.2116	1.1705

Number	Element	Mulliken
1	Al	0.012
2	C	0.399
3	N	-0.412

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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>	66.661
(<r²>)^1/2	8.165