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	hartrees
Energy at 0K	-17.507128
Energy at 298.15K
HF Energy	-17.507128
Nuclear repulsion energy	15.007868

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	2037	2037	451.21	90.13	0.14	0.24
2	Σ	517	517	185.93	20.44	0.75	0.86
3	Π	223	223	0.37	10.45	0.75	0.86
3	Π	223	223	0.37	10.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.227
N2	0.000	0.000	-0.670
C3	0.000	0.000	-1.876

	Al1	N2	C3
Al1		1.8966	3.1025
N2	1.8966		1.2060
C3	3.1025	1.2060

Number	Element	Mulliken
1	Al	0.628
2	N	-0.331
3	C	-0.297

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

using model chemistry: wB97X-D/CEP-121G

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>	35.831
(<r²>)^1/2	5.986