%chk=000110858.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110858 0 1 O 2.827700 0.4586000 0.1726000 C -1.223800 -7.3600002E-02 0.9164000 C 0.1838000 1.118900 -0.3499000 C -0.2335000 -1.153700 0.3992000 C 0.6819000 -0.3322000 -0.5654000 C -0.2600000 1.100500 1.119900 C -2.025100 0.4947000 -0.2328000 C -1.182400 1.213500 -0.9897000 C -0.8954000 -2.349000 -0.2735000 C 2.126600 -0.4777000 -0.1969000 H -1.807500 -0.3444000 1.797100 H 0.8637000 1.931200 -0.6117000 H 0.3528000 -1.527900 1.249900 H 0.5792000 -0.6447000 -1.611700 H 0.5520000 0.8799000 1.821500 H -0.7583000 2.025900 1.437200 H -3.068500 0.3114000 -0.4329000 H -1.419900 1.715000 -1.914100 H -0.1388000 -3.079600 -0.5782000 H -1.585600 -2.844400 0.4168000 H -1.457000 -2.063400 -1.168400 H 2.545600 -1.494000 -0.2923000 %chk=000110858-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000110858 0 1 O 2.914772 0.374312 0.307078 C -1.242809 -0.040584 0.947933 C 0.168901 1.186514 -0.351989 C -0.244158 -1.149454 0.406810 C 0.696529 -0.286000 -0.550622 C -0.248704 1.144963 1.152339 C -2.057879 0.479875 -0.242790 C -1.210587 1.216156 -1.021474 C -0.898852 -2.360120 -0.278685 C 2.156184 -0.490511 -0.197241 H -1.819842 -0.375778 1.824139 H 0.889986 1.961176 -0.648419 H 0.344421 -1.504664 1.277878 H 0.555361 -0.634396 -1.594246 H 0.592101 0.915698 1.830397 H -0.751121 2.071787 1.475017 H -3.100144 0.224925 -0.452517 H -1.424694 1.673343 -1.991532 H -0.138831 -3.081928 -0.632612 H -1.569581 -2.896334 0.418815 H -1.495642 -2.041034 -1.152232 H 2.542088 -1.522946 -0.412944