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	hartrees
Energy at 0K	-330.293844
Energy at 298.15K
HF Energy	-330.123929
Nuclear repulsion energy	57.077656

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	2069	1839	139.59	32.28	0.25	0.40
2	Σ	601	534	175.02	9.03	0.34	0.51
3	Π	150	133	1.19	2.19	0.75	0.86
3	Π	150	133	1.19	2.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.223
N2	0.000	0.000	-0.658
C3	0.000	0.000	-1.881

	Al1	N2	C3
Al1		1.8809	3.1037
N2	1.8809		1.2227
C3	3.1037	1.2227

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

using model chemistry: MP2=FULL/STO-3G

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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