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	hartrees
Energy at 0K	-335.054712
Energy at 298.15K
HF Energy	-335.054712
Nuclear repulsion energy	57.838126

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	2043	2018	398.23	82.76	0.14	0.24
2	Σ	528	522	168.69	22.33	0.66	0.80
3	Π	80	79	3.49	7.71	0.75	0.86
3	Π	80	79	3.49	7.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.212
N2	0.000	0.000	-0.664
C3	0.000	0.000	-1.852

	Al1	N2	C3
Al1		1.8761	3.0645
N2	1.8761		1.1884
C3	3.0645	1.1884

Number	Element	Mulliken
1	Al	0.244
2	N	-0.056
3	C	-0.188

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

using model chemistry: PBEPBE/Def2TZVPP

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>	58.636
(<r²>)^1/2	7.657