%chk=000121796.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000121796 0 1 O -0.7362000 0.4200000 -0.7307000 O -5.4800000E-02 -2.169300 -0.8950000 O -1.214900 0.6178000 1.525700 N -2.935900 0.2542000 4.0000002E-03 C 1.400200 -0.4831000 -0.1182000 C 0.6113000 0.6080000 -0.4065000 C 2.741900 -0.2745000 0.2012000 C 1.095400 1.897900 -0.3918000 C 0.8795000 -1.843000 -0.1376000 C 3.260300 1.020400 0.2241000 C 2.437100 2.106500 -7.2499998E-02 C -1.598700 0.4456000 0.3693000 C -3.978500 0.2501000 1.020100 C -3.381100 5.4400001E-02 -1.371300 C 1.474300 -2.904800 0.7794000 H 3.411500 -1.101000 0.4227000 H 0.4554000 2.743400 -0.6238000 H 4.305800 1.182900 0.4694000 H 2.840900 3.114600 -5.5700000E-02 H -3.568000 0.4041000 2.021100 H -4.494200 -0.7142000 0.9915000 H -4.688500 1.052300 0.7993000 H -2.555600 6.4999998E-02 -2.085400 H -4.081900 0.8534000 -1.630500 H -3.890300 -0.9117000 -1.435900 H 1.804400 -2.462800 1.723400 H 2.309300 -3.398200 0.2761000 H 0.7027000 -3.643800 1.015800 %chk=000121796-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000121796 0 1 O -0.801620 0.968511 -0.508413 O -0.660901 -1.805649 -0.168062 O -1.348443 0.504099 1.744141 N -2.945941 0.295170 0.027260 C 1.249959 -0.334765 0.083694 C 0.584226 0.878630 -0.283238 C 2.662874 -0.272243 0.257902 C 1.308222 2.069716 -0.501449 C 0.540311 -1.651064 0.208989 C 3.390187 0.913944 0.047435 C 2.708583 2.089824 -0.346434 C -1.699088 0.536382 0.541452 C -4.008413 -0.125812 0.954663 C -3.213186 0.126298 -1.409652 C 1.304777 -2.843326 0.780897 H 3.203033 -1.177451 0.550830 H 0.750304 2.969256 -0.777665 H 4.476173 0.924164 0.185241 H 3.261394 3.020017 -0.516204 H -3.663802 0.025894 1.988138 H -4.246399 -1.198020 0.811830 H -4.923100 0.470070 0.779061 H -2.434374 0.627679 -1.997661 H -4.197561 0.565727 -1.653963 H -3.220052 -0.948707 -1.676602 H 1.733462 -2.608391 1.771853 H 2.135186 -3.148266 0.116757 H 0.605591 -3.687485 0.877403