%chk=000146465.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000146465 0 1 C 0.3954000 -0.2027000 -5.0600000E-02 C -0.6518000 0.7497000 -0.1427000 C 1.0200000E-02 -1.560100 7.4699998E-02 C -2.014100 0.3945000 -0.1137000 C 1.797100 0.1304000 -7.7200003E-02 C -2.366300 -0.9613000 1.1600000E-02 C -0.4151000 2.226300 -0.2814000 C -1.348400 -1.920000 0.1040000 C 2.758400 -0.9092000 2.2500001E-02 C 0.9861000 -2.556000 0.1705000 C 2.339300 -2.235800 0.1447000 C -3.030700 1.360800 -0.2070000 C 2.300300 1.450300 -0.1985000 C -3.724200 -1.322800 4.1200001E-02 C -0.3301000 2.919600 1.071500 C 4.133100 -0.6182000 -3.0000001E-04 C -4.375000 0.9890000 -0.1762000 C -4.721600 -0.3523000 -5.2200001E-02 C 3.670400 1.726300 -0.2199000 C 4.587000 0.6914000 -0.1208000 H 0.3343000 2.454700 -1.039000 H -1.202000 2.732500 -0.8471000 H -1.620600 -2.971500 0.2012000 H 0.7039000 -3.602800 0.2671000 H 3.064900 -3.043400 0.2221000 H -2.889400 2.433100 -0.2525000 H 1.777700 2.378700 -0.1305000 H -4.016300 -2.366400 0.1383000 H -9.9200003E-02 3.980900 0.9331000 H -1.277600 2.858200 1.617300 H 0.4408000 2.487700 1.717600 H 4.868900 -1.416600 7.8000002E-02 H -5.151500 1.746200 -0.2371000 H -5.767400 -0.6439000 -2.5300000E-02 H 4.019600 2.753500 -0.2809000 H 5.652300 0.9011000 -0.1291000 %chk=000146465-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000146465 0 1 C 0.397833 -0.149911 -0.016504 C -0.648087 0.820826 -0.159083 C 0.012292 -1.562186 0.056461 C -2.033897 0.411665 -0.068122 C 1.856751 0.140504 0.023752 C -2.380221 -0.985225 0.130031 C -0.395200 2.291634 -0.493221 C -1.338351 -1.941232 0.151222 C 2.801460 -0.946006 -0.133071 C 1.009880 -2.611063 -0.032766 C 2.342444 -2.318893 -0.184458 C -3.129618 1.345681 -0.169057 C 2.423573 1.430360 0.277573 C -3.757631 -1.382512 0.244452 C -0.494069 3.256991 0.722305 C 4.204947 -0.691673 -0.164300 C -4.457656 0.934682 -0.055941 C -4.781884 -0.444541 0.159442 C 3.810294 1.660613 0.267692 C 4.716614 0.600205 0.012764 H 0.581441 2.407390 -0.989720 H -1.138224 2.611751 -1.247540 H -1.588405 -3.007296 0.219717 H 0.661171 -3.650143 -0.008099 H 3.087941 -3.114677 -0.295924 H -2.928849 2.407457 -0.331935 H 1.783148 2.268970 0.540346 H -3.983948 -2.444831 0.395429 H -0.280080 4.297058 0.413811 H -1.503803 3.230997 1.167871 H 0.212437 2.983488 1.526450 H 4.884765 -1.540634 -0.305500 H -5.263919 1.672886 -0.131654 H -5.829613 -0.751570 0.248371 H 4.188630 2.668197 0.473109 H 5.796235 0.782939 -0.010503