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	hartrees
Energy at 0K	-335.320437
Energy at 298.15K
HF Energy	-335.320437
Nuclear repulsion energy	57.915176

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	2122	2049	432.48	80.46	0.17	0.29
2	Σ	535	516	188.78	17.92	0.71	0.83
3	Π	135	131	1.35	8.40	0.75	0.86
3	Π	135	131	1.35	8.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.214
N2	0.000	0.000	-0.670
C3	0.000	0.000	-1.848

	Al1	N2	C3
Al1		1.8834	3.0615
N2	1.8834		1.1781
C3	3.0615	1.1781

Number	Element	Mulliken
1	Al	0.339
2	N	-0.262
3	C	-0.077

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

using model chemistry: B3LYP/TZVP

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>	58.615
(<r²>)^1/2	7.656