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	hartrees
Energy at 0K	-335.267520
Energy at 298.15K
HF Energy	-335.267520
Nuclear repulsion energy	58.491354

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	2138	2138	460.44	88.08	0.10	0.18
2	Σ	549	549	193.42	15.01	0.74	0.85
3	Π	107	107	2.99	7.23	0.75	0.86
3	Π	107	107	2.99	7.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.199
N2	0.000	0.000	-0.657
C3	0.000	0.000	-1.831

	Al1	N2	C3
Al1		1.8566	3.0305
N2	1.8566		1.1739
C3	3.0305	1.1739

Number	Element	Mulliken
1	Al	0.375
2	N	-0.415
3	C	0.040

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

using model chemistry: wB97X-D/cc-pVQZ

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>	57.661
(<r²>)^1/2	7.594