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	hartrees
Energy at 0K	-335.015931
Energy at 298.15K
HF Energy	-335.015931
Nuclear repulsion energy	54.332232

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	2278	2176	79.74	79.95	0.11	0.20
2	Σ	457	437	170.75	20.33	0.73	0.84
3	Π	158	151	5.32	12.02	0.75	0.86
3	Π	158	151	5.32	12.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.333
C2	0.000	0.000	-0.704
N3	0.000	0.000	-1.872

	Al1	C2	N3
Al1		2.0364	3.2041
C2	2.0364		1.1677
N3	3.2041	1.1677

Number	Element	Mulliken
1	Al	0.306
2	C	-0.042
3	N	-0.264

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

using model chemistry: PBE1PBE/6-31+G**

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>	66.463
(<r²>)^1/2	8.152