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	hartrees
Energy at 0K	-335.015939
Energy at 298.15K
HF Energy	-335.015939
Nuclear repulsion energy	57.995696

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	2142	2042	419.62	79.90	0.13	0.23
2	Σ	559	533	171.76	19.88	0.73	0.84
3	Π	106	101	1.62	8.44	0.75	0.86
3	Π	106	101	1.62	8.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.208
N2	0.000	0.000	-0.660
C3	0.000	0.000	-1.848

	Al1	N2	C3
Al1		1.8687	3.0560
N2	1.8687		1.1872
C3	3.0560	1.1872

Number	Element	Mulliken
1	Al	0.385
2	N	-0.399
3	C	0.014

All results from a given calculation for AlNC (Aluminum isocyanide)

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

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>	58.107
(<r²>)^1/2	7.623