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	hartrees
Energy at 0K	-335.119157
Energy at 298.15K
HF Energy	-334.993900
Nuclear repulsion energy	58.158355

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	2077	2077	383.75	91.86	0.11	0.20
2	Σ	540	540	189.30	15.80	0.69	0.82
3	Π	100	100	2.94	6.86	0.75	0.86
3	Π	100	100	2.94	6.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.206
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.842

	Al1	N2	C3
Al1		1.8663	3.0477
N2	1.8663		1.1814
C3	3.0477	1.1814

Number	Element	Mulliken
1	Al	0.440
2	N	-0.514
3	C	0.074

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

using model chemistry: B2PLYP/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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<r²>	58.308
(<r²>)^1/2	7.636