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	hartrees
Energy at 0K	-17.236094
Energy at 298.15K
HF Energy	-17.036180
Nuclear repulsion energy	14.512691

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	1862	1799	295.91	114.28	0.17	0.30
2	Σ	453	437	222.62	25.06	0.75	0.86
3	Π	188	182	0.18	11.51	0.75	0.86
3	Π	188	182	0.18	11.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.272
N2	0.000	0.000	-0.697
C3	0.000	0.000	-1.942

	Al1	N2	C3
Al1		1.9687	3.2131
N2	1.9687		1.2445
C3	3.2131	1.2445

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

using model chemistry: MP2/CEP-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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