%chk=000017824.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000017824 0 1 O 0.2781000 -2.747100 -3.0000001E-04 C -0.3846000 0.6887000 -3.9999999E-04 C 1.062200 0.6630000 -3.9999999E-04 C -0.8690000 -0.6309000 0.000000 C 1.499600 -0.6728000 -3.0000001E-04 C 0.2996000 -1.536100 -9.9999997E-05 C -2.213000 -0.9446000 6.9999998E-04 C -1.278400 1.744900 -5.0000002E-04 C -3.110000 0.1235000 7.9999998E-04 C 1.992800 1.686900 0.000000 C 2.831800 -1.033900 9.9999997E-05 C -2.648300 1.453900 1.9999999E-04 C 3.351700 1.347600 3.0000001E-04 C 3.766000 1.7000000E-03 3.0000001E-04 C -4.578600 -0.1448000 -5.0000002E-04 H -2.551300 -1.974600 -8.9999998E-04 H -0.9410000 2.776000 -1.3000000E-03 H 1.692400 2.729300 9.9999997E-05 H 3.145800 -2.070800 3.0000001E-04 H -3.359700 2.276900 -1.9000000E-03 H 4.100600 2.135600 6.0000003E-04 H 4.827800 -0.2302000 6.0000003E-04 H -5.114200 0.6051000 0.5915000 H -4.962500 -0.1261000 -1.025300 H -4.805400 -1.122000 0.4394000 %chk=000017824-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000017824 0 1 O 0.285424 -2.836116 -0.091177 C -0.384810 0.708845 0.015042 C 1.102888 0.678351 0.010246 C -0.865514 -0.635138 -0.023519 C 1.526259 -0.685220 -0.030607 C 0.311693 -1.574470 -0.054155 C -2.233877 -0.931368 -0.027615 C -1.303143 1.769835 0.049834 C -3.178389 0.135774 0.006470 C 2.057837 1.709490 0.038612 C 2.884363 -1.035973 -0.043418 C -2.692563 1.469252 0.044999 C 3.435328 1.359260 0.025799 C 3.848298 0.005157 -0.014755 C -4.668781 -0.152748 -0.002087 H -2.567620 -1.975294 -0.056888 H -0.970511 2.813283 0.080668 H 1.759436 2.763114 0.070455 H 3.181860 -2.089411 -0.074965 H -3.416190 2.292867 0.072722 H 4.192189 2.151508 0.047771 H 4.916640 -0.235648 -0.023832 H -5.262366 0.774525 0.068809 H -4.969850 -0.675963 -0.929313 H -4.956202 -0.804713 0.843906