%chk=000089810.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000089810 0 1 O 4.4000000E-03 0.4678000 0.1375000 O -1.605300 1.614200 -1.059000 C -2.196300 0.3938000 0.9333000 C -3.615500 0.9208000 0.7127000 C -2.134600 -1.133900 0.9920000 C -4.356100 0.2161000 -0.4234000 C -2.879500 -1.807700 -0.1592000 C -4.312000 -1.300400 -0.2759000 C -1.259700 0.9085000 -0.1210000 C 1.004700 0.8870000 -0.7962000 C 2.331600 0.3252000 -0.3775000 C 3.147900 1.053700 0.4804000 C 2.732700 -0.9192000 -0.8511000 C 4.381300 0.5315000 0.8698000 C 3.966100 -1.441400 -0.4614000 C 4.790400 -0.7161000 0.3989000 H -1.834000 0.8058000 1.884800 H -3.610300 2.002200 0.5296000 H -4.186600 0.7695000 1.638300 H -2.596400 -1.458700 1.934000 H -1.103900 -1.505000 1.019700 H -3.923700 0.4996000 -1.389700 H -5.399700 0.5511000 -0.4393000 H -2.886600 -2.892800 -4.8000002E-03 H -2.346900 -1.624700 -1.100400 H -4.880400 -1.598700 0.6136000 H -4.799900 -1.768600 -1.138300 H 1.048700 1.983000 -0.8247000 H 0.7435000 0.5338000 -1.801600 H 2.838100 2.025400 0.8550000 H 2.097500 -1.493600 -1.519600 H 5.022900 1.095900 1.540300 H 4.284400 -2.413100 -0.8274000 H 5.750600 -1.122900 0.7024000 %chk=000089810-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000089810 0 1 O 0.032222 0.341482 0.070571 O -1.550467 1.580010 -1.102353 C -2.208554 0.327454 0.957175 C -3.629554 0.927949 0.809070 C -2.257553 -1.232105 1.003890 C -4.422577 0.310495 -0.368944 C -3.033008 -1.823302 -0.196355 C -4.461239 -1.234171 -0.285156 C -1.267036 0.824801 -0.142117 C 1.063538 0.784799 -0.934948 C 2.407257 0.300965 -0.451451 C 3.172428 1.084427 0.449478 C 2.923756 -0.944946 -0.887648 C 4.427314 0.629420 0.910748 C 4.179014 -1.403366 -0.429407 C 4.933522 -0.616552 0.471647 H -1.757106 0.673391 1.909553 H -3.563232 2.024305 0.681725 H -4.175065 0.737737 1.755876 H -2.771064 -1.523353 1.942586 H -1.229970 -1.633912 1.051169 H -3.949833 0.619588 -1.320022 H -5.452197 0.717670 -0.372079 H -3.075898 -2.925728 -0.101582 H -2.487707 -1.605926 -1.138126 H -5.036489 -1.542197 0.613537 H -4.992477 -1.649618 -1.163338 H 1.006682 1.885096 -1.012207 H 0.785076 0.353676 -1.913010 H 2.780948 2.050509 0.790668 H 2.339208 -1.557088 -1.585212 H 5.010148 1.243585 1.606129 H 4.568678 -2.367643 -0.774055 H 5.908633 -0.969350 0.825988