%chk=000289642.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289642 0 1 O 0.430810 1.715848 1.827515 O 1.880404 1.569753 -1.148957 O -3.330277 -0.679513 1.596817 O -1.373868 -3.882188 -1.022255 N -0.225955 3.146968 0.125744 N -1.578809 -0.017405 0.234846 N -2.343098 -2.302194 0.281967 C -1.745336 1.384255 0.692177 C -2.409596 2.269569 -0.385217 C -1.337602 3.271477 -0.860210 C -0.365813 2.035407 0.972666 C 1.097261 3.714522 -0.188208 C 1.811332 2.988035 -1.345740 C -2.488388 -0.993803 0.776745 C -0.594727 -0.370659 -0.704349 C -0.496132 -1.641856 -1.160400 C -1.360866 -2.714425 -0.702135 C 2.801119 1.148789 -0.095793 C 2.655592 -0.345738 -0.038122 C 2.075322 -0.942937 1.091036 C 3.104306 -1.142411 -1.101031 C 1.962483 -2.333622 1.161019 C 2.979344 -2.532683 -1.029440 C 2.412503 -3.129205 0.101711 H -2.353413 1.378572 1.643393 H -3.284677 2.794717 0.041958 H -2.805663 1.672661 -1.226835 H -0.998569 3.048790 -1.893104 H -1.717190 4.314943 -0.847857 H 1.716944 3.662608 0.741822 H 0.979867 4.793772 -0.433672 H 2.823651 3.401663 -1.500735 H 1.243091 3.049798 -2.293971 H 0.096935 0.431764 -1.033702 H -2.980395 -3.016733 0.662848 H 0.281736 -1.931534 -1.872064 H 2.502126 1.637582 0.854260 H 3.820905 1.461554 -0.379450 H 1.701260 -0.318301 1.907754 H 3.540907 -0.675453 -1.982233 H 1.517583 -2.798212 2.039911 H 3.324194 -3.152722 -1.855193 H 2.314199 -4.212854 0.154486 %chk=000289642-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000289642 0 1 O 0.296713 1.735801 1.868365 O 1.928484 1.490847 -1.140117 O -3.983034 -0.296711 1.257555 O -1.959537 -3.844164 -1.027196 N -0.308541 3.018271 -0.021412 N -1.876439 0.078463 0.272018 N -2.917566 -2.041701 0.111545 C -1.943218 1.486467 0.752239 C -2.602017 2.459523 -0.263397 C -1.410243 3.125680 -1.002967 C -0.524844 2.066850 0.965320 C 1.002842 3.638014 -0.219804 C 1.817066 2.936726 -1.339705 C -2.998608 -0.732161 0.595603 C -0.809709 -0.418558 -0.481744 C -0.776401 -1.709652 -0.949560 C -1.867909 -2.635887 -0.666575 C 2.902941 1.112378 -0.071013 C 2.987012 -0.396020 -0.031977 C 2.475463 -1.111067 1.079256 C 3.562374 -1.112756 -1.112836 C 2.548280 -2.522512 1.116104 C 3.626504 -2.522875 -1.081877 C 3.121675 -3.230976 0.035641 H -2.497798 1.459161 1.702922 H -3.176039 3.221818 0.289999 H -3.292993 1.941764 -0.946186 H -1.155995 2.594386 -1.942077 H -1.605908 4.184807 -1.249420 H 1.536647 3.574912 0.744682 H 0.878540 4.707578 -0.478992 H 2.821618 3.409245 -1.404025 H 1.314893 3.049494 -2.316818 H 0.019883 0.271509 -0.676243 H -3.712287 -2.647107 0.341407 H 0.082962 -2.073884 -1.512737 H 2.553932 1.505103 0.902696 H 3.881214 1.570995 -0.331462 H 2.006332 -0.559742 1.903034 H 3.949536 -0.562475 -1.978629 H 2.148178 -3.067366 1.978086 H 4.069261 -3.070258 -1.921660 H 3.170237 -4.325319 0.059959