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	hartrees
Energy at 0K	-335.225292
Energy at 298.15K
HF Energy	-335.225292
Nuclear repulsion energy	58.505650

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	2134	2037	428.25	77.53	0.12	0.21
2	Σ	572	546	162.05	17.50	0.73	0.84
3	Π	79	76	3.37	8.35	0.75	0.86
3	Π	79	76	3.37	8.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.196
N2	0.000	0.000	-0.651
C3	0.000	0.000	-1.833

	Al1	N2	C3
Al1		1.8471	3.0288
N2	1.8471		1.1818
C3	3.0288	1.1818

Number	Element	Mulliken
1	Al	0.255
2	N	-0.075
3	C	-0.181

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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>	57.309
(<r²>)^1/2	7.570