%chk=000028764.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000028764 0 1 O -6.954100 -0.6846000 0.2470000 O 0.8489000 5.4400001E-02 -2.317700 O 4.660900 -2.664700 -0.4061000 O 5.227500 1.820300 1.176100 O 6.169000 -0.7742000 0.9449000 O -9.589500 -0.8863000 1.165300 N -3.702100 1.033500 1.9300001E-02 N -0.9934000 1.501200 -0.8768000 C -3.299200 2.326500 -0.5471000 C -2.889300 -4.9600001E-02 -0.5478000 C -1.807000 2.584100 -0.3104000 C -1.397000 0.2074000 -0.3124000 C -5.124900 0.7882000 -0.2075000 C 0.4291000 1.746500 -0.6479000 C -5.564500 -0.4952000 0.4790000 C 1.235400 0.6447000 -1.311100 C 2.550000 0.2673000 -0.7114000 C -7.428800 -1.872600 0.8655000 C 3.271900 1.231600 -4.6799999E-02 C 2.986200 -1.030500 -0.8459000 C 4.213000 -1.383800 -0.2841000 C 4.498800 0.8782000 0.5147000 C 4.969400 -0.4296000 0.3961000 C -8.916500 -2.006400 0.6034000 C 5.460100 -2.965800 -1.548300 C 4.989200 1.959500 2.575300 C 6.156700 -1.800200 1.934800 H -3.514600 2.367100 -1.623500 H -3.867300 3.134200 -6.9700003E-02 H -3.096700 -1.007600 -6.2899999E-02 H -3.081900 -0.1689000 -1.622500 H -1.618100 2.694800 0.7661000 H -1.541400 3.535200 -0.7877000 H -0.8615000 -0.6335000 -0.7636000 H -1.188000 0.1748000 0.7663000 H -5.365600 0.7402000 -1.278100 H -5.720800 1.615700 0.1992000 H 0.7328000 2.694600 -1.106400 H 0.6409000 1.782400 0.4271000 H -5.377000 -0.4356000 1.558000 H -5.055200 -1.374400 7.5700000E-02 H -7.248800 -1.808600 1.944900 H -6.900900 -2.742600 0.4599000 H 2.930500 2.258500 3.9500002E-02 H 2.398900 -1.780000 -1.368400 H -9.315200 -2.916200 1.060600 H -9.130700 -2.022300 -0.4698000 H -9.214200 -8.6400002E-02 0.7589000 H 4.888800 -2.806200 -2.468300 H 6.366800 -2.352600 -1.557700 H 5.750800 -4.018400 -1.494900 H 5.648700 2.742800 2.958700 H 3.951300 2.254600 2.759600 H 5.213100 1.025900 3.100700 H 6.404400 -2.763300 1.480000 H 5.195700 -1.860800 2.457600 H 6.930600 -1.565600 2.671800 %chk=000028764-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000028764 0 1 O -7.617513 -0.446240 -0.194172 O 0.847829 -1.105527 -1.229089 O 5.944355 -1.704568 -1.036485 O 4.902569 2.027827 1.979501 O 6.859029 0.288382 0.690810 O -10.311803 0.368585 -0.113976 N -4.016099 0.569452 -0.093847 N -1.122430 0.706567 -0.280505 C -3.329432 1.799412 -0.562213 C -3.203912 -0.626111 -0.443184 C -1.930152 1.901515 0.065980 C -1.801188 -0.533038 0.174180 C -5.417031 0.475697 -0.568535 C 0.265785 0.824707 0.174627 C -6.270366 -0.370556 0.386909 C 1.241186 -0.191178 -0.447246 C 2.694510 -0.065685 -0.090897 C -8.565774 -1.199474 0.641888 C 3.184514 0.908620 0.805996 C 3.600338 -0.972768 -0.703238 C 4.975119 -0.888511 -0.429682 C 4.565968 0.989518 1.104125 C 5.485724 0.092083 0.485159 C -9.926572 -1.043192 -0.038892 C 5.483692 -2.641041 -2.068570 C 6.102159 1.946854 2.832926 C 7.665838 -0.865889 1.148790 H -3.220778 1.814306 -1.675729 H -3.929568 2.678244 -0.260968 H -3.705390 -1.532943 -0.059418 H -3.099283 -0.731806 -1.551804 H -2.045362 2.017455 1.174365 H -1.421646 2.803417 -0.324688 H -1.202707 -1.397945 -0.153283 H -1.892983 -0.553375 1.290755 H -5.494179 0.049896 -1.598228 H -5.848795 1.492843 -0.604987 H 0.634313 1.837050 -0.084981 H 0.364698 0.740179 1.291998 H -6.302886 0.104866 1.389693 H -5.855037 -1.395280 0.499511 H -8.591099 -0.766978 1.665402 H -8.266343 -2.268819 0.706338 H 2.529431 1.621158 1.313895 H 3.183624 -1.707802 -1.397217 H -10.713767 -1.544765 0.548746 H -9.884867 -1.497383 -1.051298 H -9.521885 0.851409 -0.473713 H 4.793530 -3.396401 -1.647178 H 4.985327 -2.103751 -2.897101 H 6.396829 -3.131966 -2.435763 H 5.966836 2.756085 3.567624 H 6.153087 0.972227 3.355443 H 7.019522 2.099139 2.244422 H 7.626284 -1.682791 0.411918 H 7.301903 -1.219374 2.133603 H 8.690049 -0.474636 1.243478