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	hartrees
Energy at 0K	-335.039024
Energy at 298.15K
HF Energy	-335.039024
Nuclear repulsion energy	54.324573

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	2276	2173	79.63	80.85	0.11	0.20
2	Σ	456	435	170.94	20.63	0.73	0.84
3	Π	157	150	5.35	11.83	0.75	0.86
3	Π	157	150	5.35	11.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.333
C2	0.000	0.000	-0.704
N3	0.000	0.000	-1.872

	Al1	C2	N3
Al1		2.0371	3.2047
C2	2.0371		1.1676
N3	3.2047	1.1676

Number	Element	Mulliken
1	Al	0.308
2	C	-0.041
3	N	-0.266

All results from a given calculation for AlCN (Aluminum monocyanide)

using model chemistry: HSEh1PBE/6-31+G**

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>	66.475
(<r²>)^1/2	8.153