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	hartrees
Energy at 0K	-331.138078
Energy at 298.15K
HF Energy	-331.138078
Nuclear repulsion energy	57.303857

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	2139	2139	306.98	32.78	0.29	0.45
2	Σ	601	601	148.75	11.28	0.33	0.50
3	Π	93	93	0.29	2.42	0.75	0.86
3	Π	93	93	0.29	2.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.218
N2	0.000	0.000	-0.657
C3	0.000	0.000	-1.873

	Al1	N2	C3
Al1		1.8756	3.0916
N2	1.8756		1.2160
C3	3.0916	1.2160

Number	Element	Mulliken
1	Al	0.554
2	N	-0.481
3	C	-0.072

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

using model chemistry: TPSSh/STO-3G

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>	55.869
(<r²>)^1/2	7.475