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	hartrees
Energy at 0K	-335.277969
Energy at 298.15K
HF Energy	-335.277969
Nuclear repulsion energy	57.346023

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	2079	2022	410.27	76.97	0.15	0.26
2	Σ	533	519	163.40	22.90	0.67	0.80
3	Π	85	83	2.46	9.14	0.75	0.86
3	Π	85	83	2.46	9.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.224
N2	0.000	0.000	-0.672
C3	0.000	0.000	-1.867

	Al1	N2	C3
Al1		1.8962	3.0912
N2	1.8962		1.1951
C3	3.0912	1.1951

Number	Element	Mulliken
1	Al	0.376
2	N	-0.256
3	C	-0.120

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

using model chemistry: TPSSh/cc-pVDZ

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>	59.283
(<r²>)^1/2	7.700