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	hartrees
Energy at 0K	-334.974646
Energy at 298.15K
HF Energy	-334.897556
Nuclear repulsion energy	56.991368

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	2014	2014	325.45	92.73	0.15	0.26
2	Σ	525	525	167.33	23.73	0.72	0.84
3	Π	187	187	0.18	9.10	0.75	0.86
3	Π	187	187	0.18	9.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.230
N2	0.000	0.000	-0.673
C3	0.000	0.000	-1.880

	Al1	N2	C3
Al1		1.9032	3.1100
N2	1.9032		1.2068
C3	3.1100	1.2068

Number	Element	Mulliken
1	Al	0.608
2	N	-0.634
3	C	0.026

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

using model chemistry: B2PLYP/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>	59.910
(<r²>)^1/2	7.740