%chk=000124343.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124343 0 1 O 0.6653000 2.056100 3.8000001E-03 O -2.082800 1.088900 -8.7000001E-03 N 0.5290000 -1.412000 -1.3000000E-03 N 2.124200 0.1332000 -1.4000000E-03 N -2.346500 -1.189100 3.1000001E-03 C -0.1165000 -0.2076000 1.2000001E-03 C 0.8887000 0.7307000 1.6000000E-03 C 1.872300 -1.156900 -2.4999999E-03 C -1.533600 -4.3200001E-02 4.1999999E-03 H 0.1014000 -2.328200 -1.9000000E-03 H 2.607100 -1.949300 -4.6999999E-03 H -1.975000 -2.132800 6.3000000E-03 H -3.357500 -1.101300 -1.0000000E-03 H -0.2878000 2.250600 5.5999998E-03 %chk=000124343-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124343 0 1 O 0.560804 2.036726 0.000409 O -1.941410 1.159424 0.006429 N 0.654222 -1.525045 -0.001520 N 2.141168 0.200931 0.000467 N -2.471620 -1.100840 0.000960 C -0.118760 -0.338807 0.000422 C 0.846190 0.705906 0.000549 C 1.985955 -1.141969 -0.000960 C -1.545224 -0.075743 0.001906 H 0.312329 -2.484171 -0.003321 H 2.805315 -1.857098 -0.001681 H -2.217367 -2.085518 -0.000240 H -3.458082 -0.844450 0.003070 H -0.465222 2.089754 -0.002192