Orca disp.in
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#Single point calculation for the Dispersion on a B3LYP optimized calculation (in G09)
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! B3LYP TZVP VeryTightSCF VDW
* xyz 0 1
N 2.753208 1.324293 -0.950643 N 2.232023 -0.785915 -0.029264 N 2.455670 0.340045 -0.469156 C 1.156358 -0.884156 1.002763 H 1.140714 -1.943232 1.265050 H 1.459031 -0.321182 1.894602 C -0.198590 -0.422264 0.516559 C -0.697439 0.832969 0.885497 C -0.964074 -1.236209 -0.330835 C -1.938787 1.269618 0.416700 H -0.116222 1.468280 1.549564 C -2.202383 -0.801705 -0.799905 H -0.584199 -2.212390 -0.621493 C -2.692388 0.452942 -0.426300 H -2.315326 2.244447 0.712354 H -2.787862 -1.442035 -1.453289 H -3.658613 0.789980 -0.790215
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