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	hartrees
Energy at 0K	-334.661584
Energy at 298.15K
HF Energy	-334.282101
Nuclear repulsion energy	57.840683

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	2039	2039	305.33	105.58	0.12	0.21
2	Σ	535	535	192.70	14.77	0.67	0.80
3	Π	94	94	3.89	7.10	0.75	0.86
3	Π	94	94	3.89	7.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.212
N2	0.000	0.000	-0.663
C3	0.000	0.000	-1.852

	Al1	N2	C3
Al1		1.8753	3.0643
N2	1.8753		1.1890
C3	3.0643	1.1890

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

using model chemistry: MP2/aug-cc-pCVTZ

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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