#! /bin/sh $ADFBIN/adf << eor Atoms 1.N 1.966533 -0.556678 0.000000 2.C 1.351210 -1.750556 0.000000 3.N 0.039008 -2.019043 0.000000 4.C -0.679938 -0.889685 0.000000 5.C -0.192782 0.421840 0.000000 6.C 1.210298 0.557343 0.000000 7.N -2.051805 -0.746568 0.000000 8.C -2.311388 0.608600 0.000000 9.N -1.225604 1.347025 0.000000 10.N 1.828584 1.760602 0.000000 11.H 2.012099 -2.612788 0.000000 12.H -2.725918 -1.499744 0.000000 13.H -3.323166 0.988113 0.000000 14.H 1.288936 2.610953 0.000000 15.H 2.835883 1.795025 0.000000 End Basis type DZ End symmetry nosym excitations stddft onlysing end xc hybrid pbe0 end End Input eor