%chk=000157894.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000157894 1 1 N -0.7111000 0.4889000 -8.9400001E-02 C -0.3205000 -0.8683000 -0.5621000 C -1.837800 -0.1288000 0.6569000 C -1.050700 -1.456800 0.6614000 C 0.2477000 1.125700 0.8690000 C 1.155900 -1.080700 -0.8501000 C 1.671200 1.036700 0.3526000 C 2.061600 -0.4228000 0.1750000 C -1.216300 1.306000 -1.213400 H -0.8641000 -1.162200 -1.476700 H -2.778800 -0.1815000 9.4599999E-02 H -2.051100 0.3038000 1.639400 H -0.4274000 -1.619400 1.546500 H -1.643500 -2.355600 0.4724000 H 0.1770000 0.6366000 1.848900 H -5.9700001E-02 2.169700 0.9973000 H 1.389900 -0.6681000 -1.840100 H 1.375400 -2.153100 -0.9031000 H 2.348800 1.510200 1.072000 H 1.777900 1.580600 -0.5933000 H 3.104700 -0.4938000 -0.1528000 H 1.990000 -0.9480000 1.135000 H -0.3683000 1.590700 -1.843200 H -1.946900 0.7465000 -1.807500 H -1.688500 2.203500 -0.8020000 %chk=000157894-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000157894 1 1 N -0.772080 0.499544 -0.110738 C -0.308422 -0.956384 -0.576104 C -1.884290 -0.217471 0.719072 C -1.076397 -1.544021 0.648136 C 0.253737 1.185843 0.819179 C 1.188117 -1.156607 -0.819846 C 1.695482 1.056239 0.306029 C 2.097100 -0.430314 0.197460 C -1.235016 1.432661 -1.200516 H -0.880754 -1.152310 -1.501321 H -2.813781 -0.238075 0.128300 H -2.060959 0.259188 1.693700 H -0.436265 -1.710661 1.528745 H -1.658212 -2.453951 0.450542 H 0.170080 0.697608 1.805004 H -0.071852 2.235049 0.923218 H 1.437018 -0.807931 -1.840617 H 1.378103 -2.247007 -0.810346 H 2.347679 1.584870 1.024365 H 1.824217 1.567823 -0.667488 H 3.146662 -0.518781 -0.130704 H 2.038381 -0.907594 1.195268 H -0.363603 1.796530 -1.766845 H -1.917050 0.897485 -1.878941 H -1.762495 2.288067 -0.748251