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	hartrees
Energy at 0K	-335.231827
Energy at 298.15K
HF Energy	-335.231827
Nuclear repulsion energy	58.317836

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	2117	2117	445.19	88.76	0.10	0.18
2	Σ	544	544	184.57	16.60	0.69	0.81
3	Π	85	85	3.16	6.67	0.75	0.86
3	Π	85	85	3.16	6.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.203
N2	0.000	0.000	-0.660
C3	0.000	0.000	-1.837

	Al1	N2	C3
Al1		1.8625	3.0395
N2	1.8625		1.1770
C3	3.0395	1.1770

Number	Element	Mulliken
1	Al	0.254
2	N	-0.217
3	C	-0.038

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

using model chemistry: B3PW91/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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<r²>	57.878
(<r²>)^1/2	7.608