%chk=000045281.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000045281 0 1 O 0.7512000 -0.1671000 0.8583000 O 0.9566000 -1.170600 -1.251400 O 2.529400 1.026300 -0.1237000 C 2.7200000E-02 -0.6583000 -0.2833000 C -0.7678000 0.4850000 -0.9231000 C -1.884500 1.002200 -4.1999999E-03 C -0.9027000 -1.788400 0.1701000 C -2.803200 -0.1464000 0.4339000 C -2.018400 -1.284400 1.082400 C 2.125900 -0.1965000 0.4799000 C 2.189400 -1.304400 -0.5409000 C -2.689000 2.099100 -0.6998000 C 2.485900 2.103400 0.8018000 H -1.190400 0.1458000 -1.878500 H -9.0599999E-02 1.312800 -1.169500 H -1.426200 1.441000 0.8920000 H -0.3282000 -2.556000 0.7032000 H -1.336700 -2.284600 -0.7074000 H -3.351700 -0.5365000 -0.4331000 H -3.553200 0.2245000 1.142600 H -1.593000 -0.9403000 2.032900 H -2.698500 -2.110100 1.320500 H 2.761300 -0.4109000 1.346000 H 3.028100 -1.221800 -1.236900 H 2.195600 -2.291600 -6.6699997E-02 H -3.466900 2.490200 -3.5599999E-02 H -2.040600 2.934300 -0.9845000 H -3.175100 1.723300 -1.606500 H 2.847800 3.002800 0.2961000 H 3.135500 1.903200 1.659500 H 1.461200 2.287900 1.138200 %chk=000045281-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000045281 0 1 O 0.789516 -0.440047 0.932742 O 0.889331 -1.693724 -1.036696 O 2.343104 1.206117 0.012967 C -0.063119 -0.945020 -0.189333 C -0.711040 0.223466 -0.957376 C -1.773415 0.962621 -0.102532 C -1.083131 -1.925880 0.387337 C -2.817047 -0.048499 0.438700 C -2.146529 -1.191262 1.237627 C 2.122702 -0.181326 0.381186 C 2.190168 -1.008468 -0.929338 C -2.436810 2.095907 -0.912689 C 2.370452 2.114250 1.169162 H -1.195482 -0.200054 -1.860223 H 0.075321 0.926260 -1.288524 H -1.249019 1.407458 0.769684 H -0.542246 -2.682282 0.982136 H -1.565788 -2.445110 -0.463042 H -3.380975 -0.475740 -0.418101 H -3.553070 0.479202 1.076646 H -1.659062 -0.772533 2.139680 H -2.906772 -1.916306 1.585061 H 2.834188 -0.479954 1.176117 H 2.358167 -0.321258 -1.778771 H 2.969131 -1.786644 -0.905576 H -3.174498 2.647732 -0.300128 H -1.686540 2.822245 -1.277583 H -2.968519 1.688559 -1.794694 H 2.592731 3.112799 0.763105 H 3.163234 1.819103 1.887735 H 1.393417 2.122290 1.687020