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	hartrees
Energy at 0K	-335.287838
Energy at 298.15K
HF Energy	-335.287838
Nuclear repulsion energy	57.414603

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	2105	2042	409.33	75.41	0.15	0.25
2	Σ	530	514	171.05	21.36	0.68	0.81
3	Π	93	91	2.11	8.21	0.75	0.86
3	Π	93	91	2.11	8.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.223
N2	0.000	0.000	-0.674
C3	0.000	0.000	-1.865

	Al1	N2	C3
Al1		1.8972	3.0879
N2	1.8972		1.1907
C3	3.0879	1.1907

Number	Element	Mulliken
1	Al	0.357
2	N	-0.209
3	C	-0.148

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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>	59.146
(<r²>)^1/2	7.691