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	hartrees
Energy at 0K	-335.122614
Energy at 298.15K
HF Energy	-334.998013
Nuclear repulsion energy	58.066487

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	2077	1992	373.87	87.03	0.13	0.23
2	Σ	544	522	181.82	16.54	0.71	0.83
3	Π	99	95	3.17	7.81	0.75	0.86
3	Π	99	95	3.17	7.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.208
N2	0.000	0.000	-0.662
C3	0.000	0.000	-1.845

	Al1	N2	C3
Al1		1.8701	3.0526
N2	1.8701		1.1825
C3	3.0526	1.1825

Number	Element	Mulliken
1	Al	0.266
2	N	-0.049
3	C	-0.217

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

using model chemistry: B2PLYP/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>	58.371
(<r²>)^1/2	7.640