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	hartrees
Energy at 0K	-335.231363
Energy at 298.15K
HF Energy	-335.231363
Nuclear repulsion energy	58.021269

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	2145	2048	422.41	79.48	0.13	0.23
2	Σ	562	536	172.86	19.56	0.73	0.84
3	Π	108	103	1.45	8.02	0.75	0.86
3	Π	108	103	1.45	8.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.208
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.847

	Al1	N2	C3
Al1		1.8691	3.0547
N2	1.8691		1.1857
C3	3.0547	1.1857

Number	Element	Mulliken
1	Al	0.384
2	N	-0.394
3	C	0.010

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

using model chemistry: B1B95/6-31G**

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>	57.974
(<r²>)^1/2	7.614