%chk=000063739.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000063739 0 1 O 2.429600 0.2377000 1.594700 O -3.154300 1.916300 -0.1371000 N 0.6593000 0.3831000 6.1099999E-02 N -1.760600 3.0999999E-02 -0.2166000 N 3.704100 -1.555200 0.2312000 C -0.4082000 -0.3960000 -0.6145000 C 0.4449000 1.801700 7.0000000E-02 C -0.8554000 2.308300 -9.4099998E-02 C 1.806100 -0.2022000 0.6249000 C -2.036700 1.405400 -0.1499000 C -0.2274000 -0.3321000 -2.140500 C 2.276400 -1.501300 1.1400000E-02 C -2.795900 -0.9609000 -2.1199999E-02 C 1.504600 2.717600 0.1834000 C -1.078900 3.694900 -0.1290000 C 4.379600 -0.4160000 -0.4030000 C 4.269000 -2.812700 -0.2749000 C 1.275800 4.095500 0.1478000 C -1.4700000E-02 4.584000 -8.0000004E-03 C -3.875300 -0.6778000 0.8100000 C -2.705100 -2.190500 -0.6662000 C 5.880400 -0.4704000 -0.1735000 C 3.647500 -4.012600 0.4194000 C -4.873500 -1.633600 0.9983000 C -3.703500 -3.146300 -0.4780000 C -4.787700 -2.867700 0.3542000 H -0.2705000 -1.430300 -0.2851000 H -0.9643000 -0.9479000 -2.663700 H 0.7655000 -0.6626000 -2.454400 H -0.3525000 0.6901000 -2.515700 H 2.038800 -1.562600 -1.051200 H 1.737200 -2.289700 0.5461000 H 2.533200 2.381900 0.2767000 H -2.079300 4.104700 -0.2436000 H 4.184200 -0.3922000 -1.483400 H 4.056300 0.5499000 -8.2999999E-03 H 4.147200 -2.907000 -1.361300 H 5.338400 -2.881100 -5.2800000E-02 H 2.110800 4.784700 0.2345000 H -0.1931000 5.654700 -3.5999998E-02 H -3.957300 0.2511000 1.365200 H -1.889900 -2.454700 -1.329600 H 6.377400 -1.214100 -0.8041000 H 6.126000 -0.6635000 0.8763000 H 6.324000 0.4971000 -0.4360000 H 3.649100 -3.896000 1.508600 H 2.623300 -4.203900 8.4899999E-02 H 4.226300 -4.913400 0.1860000 H -5.712700 -1.421300 1.654400 H -3.638200 -4.107000 -0.9804000 H -5.564000 -3.612700 0.5023000 %chk=000063739-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000063739 0 1 O 2.906768 0.930397 0.511034 O -3.115750 1.592670 0.711192 N 0.772833 0.856224 -0.439467 N -1.551689 0.143560 -0.294555 N 3.481735 -1.765812 -0.004100 C -0.311106 0.106794 -1.125419 C 0.428350 2.215049 -0.127684 C -0.953019 2.490576 0.101685 C 2.008526 0.265610 -0.070035 C -1.973840 1.399613 0.193511 C -0.544025 0.642871 -2.556975 C 2.194479 -1.227897 -0.442778 C -2.312869 -1.067479 -0.122834 C 1.374215 3.268312 -0.066557 C -1.371982 3.817584 0.363397 C 4.648076 -1.252174 -0.772428 C 3.471200 -3.243751 0.148154 C 0.935451 4.583503 0.193560 C -0.436277 4.867454 0.403228 C -3.105898 -1.269112 1.039728 C -2.247714 -2.098539 -1.099495 C 5.939308 -1.228758 0.066143 C 2.683036 -3.726376 1.381711 C -3.803379 -2.481143 1.215490 C -2.944990 -3.311326 -0.908013 C -3.727371 -3.512166 0.249764 H -0.012601 -0.946270 -1.183247 H -1.365962 0.089716 -3.043089 H 0.373302 0.519842 -3.159669 H -0.811931 1.712000 -2.545114 H 2.032140 -1.337670 -1.551428 H 1.392848 -1.810385 0.049322 H 2.433500 3.055385 -0.208287 H -2.436547 3.985148 0.555334 H 4.805312 -1.846421 -1.708901 H 4.420999 -0.216312 -1.075335 H 3.083453 -3.752179 -0.773034 H 4.521890 -3.565478 0.258999 H 1.673461 5.392408 0.230563 H -0.764101 5.892386 0.604380 H -3.182875 -0.477866 1.786609 H -1.680720 -1.960459 -2.026046 H 6.230631 -2.237004 0.413347 H 5.786921 -0.588022 0.950487 H 6.779197 -0.824751 -0.529735 H 3.081440 -3.249032 2.293231 H 1.604899 -3.489183 1.316724 H 2.770531 -4.823882 1.486017 H -4.408148 -2.620157 2.118348 H -2.883357 -4.092354 -1.673949 H -4.272348 -4.450744 0.395513