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	hartrees
Energy at 0K	-335.277621
Energy at 298.15K
HF Energy	-335.277621
Nuclear repulsion energy	53.979125

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	2209	2209	89.66	100.14	0.07	0.14
2	Σ	444	444	160.80	20.53	0.64	0.78
3	Π	119	119	7.09	7.42	0.75	0.86
3	Π	119	119	7.09	7.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.342
C2	0.000	0.000	-0.710
N3	0.000	0.000	-1.884

	Al1	C2	N3
Al1		2.0526	3.2259
C2	2.0526		1.1733
N3	3.2259	1.1733

Number	Element	Mulliken
1	Al	-0.501
2	C	0.284
3	N	0.217

All results from a given calculation for AlCN (Aluminum monocyanide)

using model chemistry: TPSSh/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>	67.180
(<r²>)^1/2	8.196