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	hartrees
Energy at 0K	-335.274284
Energy at 298.15K
HF Energy	-335.274284
Nuclear repulsion energy	58.135930

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	2134	2045	454.97	79.95	0.16	0.27
2	Σ	552	529	182.23	18.28	0.73	0.84
3	Π	99	95	1.43	7.72	0.75	0.86
3	Π	99	95	1.43	7.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.207
N2	0.000	0.000	-0.663
C3	0.000	0.000	-1.842

	Al1	N2	C3
Al1		1.8703	3.0492
N2	1.8703		1.1790
C3	3.0492	1.1790

Number	Element	Mulliken
1	Al	0.468
2	N	-0.470
3	C	0.002

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

using model chemistry: B1B95/6-311G*

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>	58.029
(<r²>)^1/2	7.618