%chk=000053305.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053305 0 1 N -0.6552000 -0.1103000 -3.0000001E-04 N 2.2900000E-02 2.028900 0.000000 N 1.516500 -1.220500 -9.9999997E-05 N 3.773500 -1.963900 9.9999997E-05 C 0.7190000 -0.1361000 -1.9999999E-04 C -1.028000 1.232700 -9.9999997E-05 C 1.113500 1.195600 0.000000 C -1.568200 -1.162800 0.000000 C -2.887900 -0.8950000 9.9999997E-05 C -2.424300 1.515400 0.000000 C -3.312500 0.5033000 9.9999997E-05 C 2.486800 1.473400 1.9999999E-04 C 2.832200 -0.8992000 0.000000 C 3.360000 0.3869000 1.9999999E-04 C -3.948200 -1.948300 9.9999997E-05 H -1.170800 -2.171100 0.000000 H -2.757600 2.547100 9.9999997E-05 H -4.377200 0.7151000 1.9999999E-04 H 2.860800 2.491300 9.9999997E-05 H 4.432000 0.5614000 -6.0000003E-04 H -4.581600 -1.857300 0.8889000 H -3.519100 -2.956000 9.9999997E-05 H -4.581800 -1.857400 -0.8886000 H 3.398400 -2.904400 6.2000002E-03 H 4.677700 -1.805800 0.4278000 %chk=000053305-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000053305 0 1 N -0.661795 -0.110555 0.010642 N 0.023106 2.114316 -0.009476 N 1.539298 -1.215063 0.044730 N 3.738923 -2.020673 0.075989 C 0.738967 -0.124604 0.024268 C -1.050628 1.282024 -0.009033 C 1.130952 1.256289 0.011970 C -1.577012 -1.155515 0.013909 C -2.936652 -0.878879 -0.001789 C -2.449860 1.557812 -0.025339 C -3.362518 0.505834 -0.021702 C 2.527245 1.516081 0.022871 C 2.876520 -0.933012 0.054998 C 3.395694 0.415238 0.044664 C -3.960398 -1.996496 0.001462 H -1.153606 -2.162491 0.029415 H -2.765180 2.603812 -0.040638 H -4.436730 0.722612 -0.034433 H 2.907481 2.541688 0.014789 H 4.480221 0.567315 0.054421 H -4.623648 -1.928812 0.884447 H -3.478153 -2.988810 0.017687 H -4.606597 -1.949612 -0.895409 H 3.338760 -2.955400 0.081627 H 4.746511 -1.900099 0.084229