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	hartrees
Energy at 0K	-333.393264
Energy at 298.15K
HF Energy	-333.393264
Nuclear repulsion energy	57.165425

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	1984	1974	337.21	80.28	0.16	0.27
2	Σ	544	541	125.11	30.50	0.67	0.80
3	Π	160	159	1.80	8.10	0.75	0.86
3	Π	160	159	1.80	8.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.225
N2	0.000	0.000	-0.668
C3	0.000	0.000	-1.875

	Al1	N2	C3
Al1		1.8933	3.1001
N2	1.8933		1.2068
C3	3.1001	1.2068

Number	Element	Mulliken
1	Al	0.485
2	N	-0.651
3	C	0.165

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

using model chemistry: BLYP/3-21G

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>	59.701
(<r²>)^1/2	7.727