%chk=000155621.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000155621 0 1 N 0.6243000 -0.5089000 -0.5397000 N 2.119100 -1.620200 -1.764500 N 2.115400 0.9044000 0.7564000 N 4.450200 0.5005000 0.1720000 N 5.101900 -1.102000 -1.481700 C -0.6591000 -9.4400004E-02 -2.7000001E-02 C -1.566400 0.5595000 -1.132700 C -0.5405000 1.069900 1.023600 C -1.215200 -1.441700 0.5565000 C 1.848900 -3.6100000E-02 -0.1623000 C 0.8388000 -1.458500 -1.503200 C -2.831100 0.8932000 -0.7743000 C -0.9225000 0.7940000 2.295200 C -2.394400 -1.892300 5.7700001E-02 C -1.013000 0.7380000 -2.357800 C -6.5800004E-02 2.258400 0.5753000 C -0.4748000 -2.053300 1.515600 C 2.762000 -0.7373000 -0.9335000 C -3.636000 1.472800 -1.755000 C -0.8178000 1.826800 3.226900 C -2.888800 -3.089200 0.5764000 C -1.817800 1.317800 -3.338600 C 3.9200000E-02 3.291200 1.507100 C -0.9690000 -3.250100 2.034300 C 4.107400 -0.4400000 -0.7412000 C -3.129300 1.685000 -3.037200 C -0.3370000 3.075300 2.832800 C -2.176100 -3.768000 1.564700 C 3.447600 1.105300 0.8540000 H 3.9200000E-02 -2.008600 -1.982300 H -3.238100 0.7575000 0.2217000 H -1.365200 -0.1197000 2.659800 H -2.963200 -1.475300 -0.7580000 H 8.5000005E-03 0.5394000 -2.645700 H 0.2312000 2.457000 -0.4484000 H 0.4685000 -1.674500 1.893200 H -4.655300 1.764200 -1.518900 H -1.124700 1.664600 4.256200 H -3.819200 -3.503300 0.1984000 H -1.419700 1.497400 -4.333200 H 0.4126000 4.263800 1.200300 H -0.4131000 -3.780000 2.802300 H -3.754400 2.140700 -3.799500 H -0.2586000 3.880500 3.557400 H -2.558500 -4.702200 1.965300 H 3.757800 1.852800 1.576300 H 6.072700 -0.8682000 -1.323700 H 4.848700 -1.804100 -2.163700 %chk=000155621-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000155621 0 1 N 0.643339 -0.109048 -0.787319 N 2.034915 -0.771561 -2.503225 N 2.217695 -0.478066 1.127947 N 4.418922 -1.287514 0.374360 N 4.929964 -1.663460 -1.903991 C -0.645059 0.152624 -0.037596 C -1.756230 0.572083 -1.050768 C -0.504566 1.377564 0.906214 C -0.951643 -1.182717 0.699012 C 1.868253 -0.473154 -0.193420 C 0.808129 -0.333608 -2.169121 C -3.042023 -0.018925 -1.051824 C -1.589076 1.692343 1.766071 C -1.230386 -2.339494 -0.077116 C -1.522648 1.681311 -1.908795 C 0.595587 2.263347 0.854261 C -0.843114 -1.322272 2.101900 C 2.708329 -0.861491 -1.271935 C -4.059059 0.464853 -1.908243 C -1.561556 2.848134 2.572417 C -1.439504 -3.591629 0.535532 C -2.530129 2.156549 -2.771241 C 0.623569 3.425208 1.658228 C -1.057779 -2.575347 2.719517 C 4.032943 -1.274961 -0.944256 C -3.807696 1.547407 -2.777617 C -0.451104 3.723009 2.523810 C -1.364187 -3.713698 1.943060 C 3.502843 -0.898211 1.316043 H 0.004775 -0.161359 -2.878490 H -3.261078 -0.853854 -0.380367 H -2.468767 1.039381 1.792693 H -1.271011 -2.266518 -1.170483 H -0.552310 2.190048 -1.886750 H 1.443550 2.050398 0.197921 H -0.561821 -0.462327 2.714531 H -5.047917 -0.006802 -1.890029 H -2.409037 3.069852 3.230666 H -1.653565 -4.470188 -0.083201 H -2.323709 3.009459 -3.427168 H 1.490133 4.093908 1.608226 H -0.965614 -2.661619 3.807869 H -4.595391 1.919844 -3.441695 H -0.427351 4.623700 3.147221 H -1.525139 -4.685385 2.423245 H 3.850651 -0.930334 2.353161 H 5.860924 -1.959251 -1.618641 H 4.653349 -1.666127 -2.883311