%chk=000226905.chk %nprocshared=4 %mem=3800MB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000226905 0 1 O -1.702800 0.1612000 -2.3000001E-03 O -0.8211000 -1.955100 -8.9999998E-04 C -4.036000 0.7344000 -4.8000002E-03 C -3.021000 -0.3983000 -3.5999999E-03 C 0.6474000 -9.7099997E-02 -1.9999999E-04 C 3.057300 -0.2680000 1.3000000E-03 C 1.803100 -0.8782000 6.9999998E-04 C -5.462300 0.2148000 8.9999996E-03 C 0.7461000 1.294300 -5.0000002E-04 C -0.6606000 -0.7328000 -1.0000000E-03 C 3.156000 1.123300 8.9999998E-04 C 2.000400 1.904500 9.9999997E-05 C 4.293300 -1.103100 1.4000000E-03 H -3.866700 1.380700 0.8649000 H -3.878300 1.368200 -0.8857000 H -3.149200 -1.019100 0.8908000 H -3.148200 -1.020200 -0.8972000 H 1.737200 -1.963800 2.7000001E-03 H -5.651300 -0.3888000 0.9025000 H -6.170100 1.049500 7.1999999E-03 H -5.663400 -0.4028000 -0.8721000 H -0.1290000 1.938000 -1.1000000E-03 H 4.127200 1.611000 3.0000000E-03 H 2.077800 2.988000 3.9999999E-04 H 4.147000 -2.021400 -0.5774000 H 5.134500 -0.5688000 -0.4534000 H 4.564600 -1.372200 1.027000 %chk=000226905-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000226905 0 1 O -1.726251 0.176545 -0.000832 O -0.832078 -1.975232 -0.012606 C -4.092303 0.731084 0.007330 C -3.091632 -0.425261 -0.001031 C 0.664270 -0.042513 -0.005693 C 3.119940 -0.271095 -0.012289 C 1.829486 -0.850572 -0.012387 C -5.547373 0.211038 0.007861 C 0.778920 1.371432 -0.001927 C -0.660132 -0.729564 -0.008144 C 3.218283 1.145503 -0.012854 C 2.060877 1.958029 -0.005920 C 4.364708 -1.141121 0.009953 H -3.911639 1.359301 0.899399 H -3.915662 1.368710 -0.878852 H -3.191049 -1.072135 0.890681 H -3.194973 -1.062617 -0.899097 H 1.703197 -1.939423 -0.018765 H -5.751379 -0.411471 0.898983 H -6.263733 1.051205 0.012947 H -5.754826 -0.403559 -0.887951 H -0.126537 1.983920 0.000886 H 4.210140 1.614146 -0.020308 H 2.162317 3.048863 -0.007816 H 4.210316 -2.081646 -0.546932 H 5.232152 -0.619365 -0.430426 H 4.636861 -1.416002 1.047489