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	hartrees
Energy at 0K	-335.261157
Energy at 298.15K
HF Energy	-335.261157
Nuclear repulsion energy	57.507908

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	2129	2129	451.60	91.59	0.10	0.19
2	Σ	518	518	195.77	17.59	0.65	0.79
3	Π	70	70	2.08	6.02	0.75	0.86
3	Π	70	70	2.08	6.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.223
N2	0.000	0.000	-0.676
C3	0.000	0.000	-1.861

	Al1	N2	C3
Al1		1.8993	3.0835
N2	1.8993		1.1842
C3	3.0835	1.1842

Number	Element	Mulliken
1	Al	-0.633
2	N	1.092
3	C	-0.458

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

using model chemistry: B1B95/daug-cc-pVDZ

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>	59.211
(<r²>)^1/2	7.695