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	hartrees
Energy at 0K	-334.646336
Energy at 298.15K
HF Energy	-334.274361
Nuclear repulsion energy	57.899883

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	2046	1930	305.22	101.48	0.13	0.23
2	Σ	537	506	193.34	14.87	0.69	0.82
3	Π	104	99	3.89	7.55	0.75	0.86
3	Π	104	99	3.89	7.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.211
N2	0.000	0.000	-0.662
C3	0.000	0.000	-1.850

	Al1	N2	C3
Al1		1.8728	3.0611
N2	1.8728		1.1883
C3	3.0611	1.1883

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

using model chemistry: MP2/6-311+G(3df,2p)

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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