%chk=000147323.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000147323 0 1 O -2.237700 -5.0000002E-04 0.1381000 O -4.153300 -2.2299999E-02 -1.147800 O 4.655600 -1.088400 0.5850000 O 4.654100 1.110800 0.5486000 N 4.071800 8.2000000E-03 0.4129000 C 1.1600000E-02 -1.2200000E-02 -0.6634000 C -1.438500 -1.9099999E-02 -1.049100 C 0.6775000 -1.216500 -0.4671000 C 0.6760000 1.199100 -0.5069000 C 2.699200 1.4000000E-03 4.9699999E-02 C 2.025700 -1.209800 -0.1093000 C 2.024300 1.205900 -0.1491000 C -4.282400 1.6000001E-02 1.279500 C -3.589000 -4.4000000E-03 -6.2500000E-02 C -5.794800 3.1900000E-02 1.141300 H -1.671100 0.8580000 -1.665800 H -1.670000 -0.9160000 -1.637300 H 0.1617000 -2.165400 -0.5864000 H 0.1590000 2.142800 -0.6575000 H 2.518500 -2.167600 3.7599999E-02 H 2.516000 2.168500 -3.4000002E-02 H -3.978400 -0.8742000 1.840200 H -3.959500 0.9103000 1.823000 H -6.150000 -0.8548000 0.6058000 H -6.267700 4.8200000E-02 2.128100 H -6.129600 0.9145000 0.5863000 %chk=000147323-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000147323 0 1 O -2.244194 -0.004018 0.144360 O -4.168635 -0.017176 -1.171197 O 4.733207 -1.124905 0.633229 O 4.728939 1.155487 0.595948 N 4.147646 0.011533 0.451334 C 0.016835 -0.015375 -0.716414 C -1.437124 -0.024270 -1.120031 C 0.709599 -1.234297 -0.501085 C 0.705287 1.212519 -0.542031 C 2.717316 0.002325 0.050593 C 2.063387 -1.237582 -0.115416 C 2.058995 1.233678 -0.156747 C -4.347166 0.015481 1.306741 C -3.639646 -0.003741 -0.038045 C -5.879491 0.036621 1.172505 H -1.713720 0.859395 -1.721726 H -1.711366 -0.928444 -1.691613 H 0.182501 -2.185276 -0.634269 H 0.174781 2.156599 -0.707077 H 2.616916 -2.164198 0.055100 H 2.609152 2.167495 -0.017506 H -4.005840 -0.867414 1.880545 H -3.979441 0.893904 1.870613 H -6.241354 -0.848787 0.623188 H -6.350830 0.046099 2.170574 H -6.216753 0.928748 0.618325