%chk=000108891.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108891 0 1 O -1.440200 -4.104600 -1.9999999E-04 O -4.698300 1.402600 1.9999999E-04 O 4.854900 -0.7614000 1.2000001E-03 N 0.7156000 2.702200 -3.0000001E-04 C -6.6999998E-03 -0.1838000 0.000000 C -0.2162000 -1.014100 1.294500 C -0.2157000 -1.014300 -1.294600 C -1.041700 0.9656000 -1.9999999E-04 C 1.445900 0.3359000 1.9999999E-04 C -0.6303000 -2.297400 1.288400 C -0.6295000 -2.297600 -1.288500 C -0.6292000 2.309000 -1.9999999E-04 C 1.657900 1.812400 -1.9999999E-04 C -0.9399000 -2.980400 -9.9999997E-05 C 7.0600003E-02 -0.2936000 2.600900 C 7.1699999E-02 -0.2940000 -2.600900 C -2.424000 0.6801000 -3.0000001E-04 C 2.513300 -0.4811000 1.9999999E-04 C -0.8017000 -3.162000 2.509700 C -0.8001000 -3.162200 -2.509700 C -1.595300 3.327100 0.000000 C 3.060100 2.299300 -9.9999997E-05 C -3.371300 1.702900 -9.9999997E-05 C 3.903800 1.2000000E-02 9.9999997E-05 C -2.956500 3.028100 -9.9999997E-05 C 4.102600 1.469200 9.9999997E-05 H -0.5691000 -0.6435000 3.416700 H -0.1186000 0.7812000 2.527100 H 1.117400 -0.4326000 2.889000 H -0.5677000 -0.6439000 -3.416900 H 1.118600 -0.4332000 -2.888600 H -0.1175000 0.7808000 -2.527400 H -2.764100 -0.3532000 -3.0000001E-04 H 2.395500 -1.560400 3.9999999E-04 H -0.3808000 -4.159400 2.339200 H -1.864400 -3.271600 2.748300 H -0.2889000 -2.770700 3.391900 H -1.862700 -3.271800 -2.749000 H -0.3795000 -4.159600 -2.338800 H -0.2866000 -2.771100 -3.391700 H -1.285900 4.370300 9.9999997E-05 H 3.218000 3.373000 -9.9999997E-05 H -3.684900 3.834000 0.000000 H 5.119200 1.845100 3.0000001E-04 H -4.803900 0.4357000 1.9999999E-04 %chk=000108891-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108891 0 1 O -1.278965 -4.238548 -0.000036 O -4.770293 1.366225 -0.000473 O 4.917196 -0.807333 0.000773 N 0.679197 2.726218 -0.000096 C 0.002884 -0.206580 0.000017 C -0.193556 -1.010175 1.297584 C -0.193220 -1.010248 -1.297568 C -1.055604 0.927088 -0.000135 C 1.447216 0.360242 0.000187 C -0.601042 -2.320957 1.288450 C -0.600706 -2.321031 -1.288463 C -0.657231 2.301794 -0.000187 C 1.665266 1.815161 0.000073 C -0.856087 -3.032476 -0.000016 C 0.095444 -0.262989 2.584147 C 0.096208 -0.263118 -2.584063 C -2.423511 0.603920 -0.000225 C 2.531184 -0.487719 0.000412 C -0.808875 -3.124944 2.558917 C -0.808185 -3.125133 -2.558922 C -1.658386 3.320616 -0.000340 C 3.035691 2.319490 0.000204 C -3.399634 1.631580 -0.000377 C 3.925455 0.005223 0.000544 C -3.019475 2.999188 -0.000438 C 4.115493 1.471032 0.000426 H -0.521390 -0.633970 3.419140 H -0.083703 0.821228 2.476422 H 1.155819 -0.390241 2.879404 H -0.519797 -0.634616 -3.419425 H 1.156881 -0.389719 -2.878531 H -0.083695 0.821007 -2.476622 H -2.728872 -0.450954 -0.000178 H 2.402078 -1.577092 0.000495 H -1.098902 -4.153567 2.292710 H -1.608278 -2.692734 3.190617 H 0.109922 -3.163121 3.172251 H -1.607620 -2.693141 -3.190735 H -1.098039 -4.153799 -2.292691 H 0.110692 -3.163148 -3.172138 H -1.319276 4.360661 -0.000378 H 3.146264 3.408861 0.000118 H -3.797615 3.766883 -0.000555 H 5.147780 1.836539 0.000526 H -4.954813 0.393394 -0.000424