%chk=000108820.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108820 0 1 O -2.332000 0.1162000 -0.1287000 O 2.417900 -0.4593000 -0.2489000 O -1.237300 -0.2059000 1.863700 O 1.374300 -0.5636000 1.795400 C 4.5800000E-02 -0.1587000 -0.2289000 C 0.2457000 1.159800 -1.042400 C 5.5399999E-02 2.500900 -0.2919000 C -0.1836000 -1.333600 -1.234000 C -1.221800 -7.6200001E-02 0.6455000 C 1.330000 -0.4258000 0.5793000 C 1.059800 2.578300 0.8649000 C 0.2149000 3.733900 -1.179000 C -0.4070000 -2.672400 -0.5803000 C -3.578700 0.1629000 0.5724000 C 3.679600 -0.6731000 0.3916000 C -1.535900 -3.380800 -0.6960000 C -4.697100 0.3801000 -0.4245000 C 4.770200 -0.6827000 -0.6583000 H -0.4862000 1.166800 -1.863100 H 1.223300 1.167900 -1.541500 H -0.9564000 2.540600 0.1285000 H 0.6901000 -1.433900 -1.891500 H -1.025400 -1.104500 -1.901300 H 0.7886000 1.905100 1.680700 H 1.064900 3.585000 1.299100 H 2.080800 2.361500 0.5345000 H 1.221600 3.785400 -1.607300 H 3.7500001E-02 4.653800 -0.6119000 H -0.5025000 3.707000 -2.005900 H 0.4086000 -3.088300 5.2000000E-03 H -3.734600 -0.7829000 1.103000 H -3.560800 0.9873000 1.293900 H 3.865000 0.1327000 1.110500 H 3.663700 -1.634100 0.9175000 H -1.632500 -4.343600 -0.2065000 H -2.378300 -3.015800 -1.273100 H -4.544900 1.313300 -0.9767000 H -4.715500 -0.4273000 -1.164000 H -5.667200 0.4210000 7.8400001E-02 H 4.588200 -1.471800 -1.395400 H 4.785900 0.2657000 -1.205500 H 5.750900 -0.8441000 -0.2023000 %chk=000108820-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108820 0 1 O -2.420338 -0.035992 -0.050182 O 2.392629 -0.297041 -0.147176 O -1.172344 0.523615 1.826287 O 1.175879 -1.223274 1.598984 C -0.019189 -0.116366 -0.292025 C 0.230477 1.206354 -1.105173 C 0.245204 2.551696 -0.327028 C -0.302947 -1.273820 -1.330844 C -1.218664 0.128747 0.642098 C 1.200796 -0.574697 0.531207 C 1.320893 2.624020 0.782794 C 0.433052 3.705560 -1.342993 C -0.561146 -2.640461 -0.730107 C -3.663575 0.244965 0.731838 C 3.641510 -0.787636 0.512804 C -1.644737 -3.404167 -1.014723 C -4.841237 -0.069319 -0.184429 C 4.804667 -0.376517 -0.383673 H -0.571225 1.262193 -1.868100 H 1.190480 1.086077 -1.640355 H -0.744418 2.686034 0.157336 H 0.584982 -1.315326 -1.994591 H -1.168701 -0.969903 -1.943236 H 1.128633 1.889003 1.583991 H 1.318914 3.627223 1.248756 H 2.329398 2.440188 0.367023 H 1.417993 3.630363 -1.843155 H 0.386803 4.687186 -0.836600 H -0.347926 3.688874 -2.126765 H 0.196769 -3.029130 -0.034662 H -3.649010 -0.386590 1.637977 H -3.641648 1.303320 1.050455 H 3.697899 -0.335042 1.519221 H 3.564047 -1.883408 0.634734 H -1.775507 -4.400046 -0.576361 H -2.434085 -3.050975 -1.690303 H -4.819210 0.560388 -1.090589 H -4.825138 -1.128417 -0.493802 H -5.790555 0.122795 0.348254 H 4.711995 -0.829255 -1.385809 H 4.846043 0.720268 -0.498718 H 5.757535 -0.714688 0.062839