%chk=000062654.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000062654 0 1 O -5.123300 3.3700000E-02 -0.4413000 C 3.434800 -0.2290000 0.2168000 C 1.956100 -0.1989000 2.6500000E-02 C -0.8105000 -0.1424000 -0.3285000 C -2.289400 -0.1122000 -0.5178000 C 1.325000 0.9874000 -0.3476000 C 1.203900 -1.356900 0.2234000 C 3.901900 0.7043000 1.349900 C 4.202200 9.7700000E-02 -1.078500 C -5.8300000E-02 1.015600 -0.5251000 C -0.1794000 -1.328700 4.5899998E-02 C -3.031900 0.2412000 0.7743000 C -4.531100 0.2880000 0.6020000 H 3.734500 -1.245200 0.5077000 H -2.636400 -1.083800 -0.8936000 H -2.549100 0.6070000 -1.305900 H 1.891000 1.901200 -0.5056000 H 1.679300 -2.289300 0.5157000 H 3.715900 1.758000 1.115700 H 4.976800 0.5866000 1.525400 H 3.381000 0.4714000 2.285300 H 3.897400 -0.5718000 -1.890500 H 5.280100 -2.6000001E-02 -0.9274000 H 4.028000 1.127300 -1.409300 H -0.5385000 1.946500 -0.8149000 H -0.7546000 -2.237100 0.2041000 H -2.814200 -0.4932000 1.558100 H -2.715000 1.224100 1.141700 H -5.094200 0.5689000 1.508700 %chk=000062654-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000062654 0 1 O -5.256179 0.065100 -0.386378 C 3.512238 -0.236062 0.239055 C 1.996311 -0.202442 0.024783 C -0.852082 -0.152934 -0.384422 C -2.362955 -0.115418 -0.560486 C 1.332330 0.988761 -0.370926 C 1.208214 -1.366033 0.208307 C 3.949286 0.715587 1.385198 C 4.282025 0.088300 -1.069597 C -0.063901 1.012488 -0.571046 C -0.190418 -1.343388 0.007116 C -3.085025 0.241981 0.760473 C -4.598441 0.295397 0.656866 H 3.782504 -1.268766 0.539634 H -2.740390 -1.092054 -0.915103 H -2.650006 0.624471 -1.330094 H 1.911782 1.906623 -0.529974 H 1.697468 -2.302259 0.506135 H 3.717438 1.768008 1.136075 H 5.039218 0.641859 1.558630 H 3.429307 0.469762 2.328612 H 4.000875 -0.607057 -1.880807 H 5.373739 0.013016 -0.908422 H 4.061301 1.115835 -1.414089 H -0.550617 1.944764 -0.885981 H -0.773370 -2.263122 0.146378 H -2.828364 -0.485082 1.561218 H -2.737444 1.222247 1.151806 H -5.122843 0.564817 1.612241