%chk=000006829.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000006829 0 1 O 1.695000 -2.779800 -5.0000002E-04 O -0.3567000 -1.998800 -9.9999997E-05 N 0.8839000 -1.825000 -3.9999999E-04 C 0.5345000 0.6102000 -3.0000001E-04 C -0.9041000 0.4548000 0.000000 C 1.390600 -0.4940000 9.9999997E-05 C 1.069400 1.900600 -1.9999999E-04 C -1.597700 0.3801000 -1.207900 C -1.597400 0.3792000 1.208200 C 2.773200 -0.3084000 3.0000001E-04 C 2.452000 2.086000 9.9999997E-05 C 3.303700 0.9816000 3.9999999E-04 C -2.984500 0.2300000 -1.207800 C -2.984200 0.2291000 1.208100 C -3.677700 0.1545000 9.9999997E-05 H 0.4220000 2.774800 -3.9999999E-04 H -1.072800 0.4370000 -2.158600 H -1.072300 0.4355000 2.158800 H 3.472100 -1.141000 3.9999999E-04 H 2.865300 3.090400 9.9999997E-05 H 4.380100 1.126600 6.0000003E-04 H -3.524500 0.1717000 -2.148300 H -3.524100 0.1699000 2.148600 H -4.757400 3.7400000E-02 1.9999999E-04 %chk=000006829-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000006829 0 1 O 2.004715 -2.861382 -0.000225 O -0.184819 -2.250487 0.000387 N 1.070875 -1.964909 0.000117 C 0.538645 0.528326 0.000034 C -0.957884 0.381726 0.000042 C 1.490659 -0.531619 0.000145 C 1.063884 1.848886 -0.000118 C -1.674554 0.366617 -1.222721 C -1.674450 0.365194 1.222854 C 2.886285 -0.293043 0.000194 C 2.451722 2.104298 -0.000076 C 3.368894 1.027875 0.000104 C -3.085957 0.312798 -1.221687 C -3.085843 0.311417 1.221877 C -3.796638 0.282958 0.000106 H 0.353627 2.682157 -0.000232 H -1.127618 0.385204 -2.172130 H -1.127433 0.382662 2.172234 H 3.561697 -1.152180 0.000267 H 2.813804 3.137908 -0.000173 H 4.447406 1.214515 0.000158 H -3.628732 0.293558 -2.173340 H -3.628541 0.291107 2.173552 H -4.891343 0.238815 0.000131