%chk=000110415.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110415 0 1 S -1.405800 2.254000 7.9899997E-02 O -0.8825000 2.711900 -1.396500 O -3.892000 -2.159400 9.9999997E-05 O -2.792900 2.668200 0.1937000 O -0.4182000 2.660300 1.062500 O 4.547600 -0.4184000 -1.4800000E-02 O 3.542600 1.532600 3.3700000E-02 N 3.504900 0.2789000 7.0000002E-03 C -0.1873000 -0.2462000 1.8300001E-02 C -0.2535000 -1.659500 -1.1800000E-02 C -1.378700 0.4968000 4.1600000E-02 C 1.068500 0.3826000 2.4100000E-02 C -2.617700 -0.1443000 3.5999998E-02 C -1.509300 -2.288200 -1.7500000E-02 C 0.9380000 -2.402600 -3.5200000E-02 C -2.682900 -1.534300 6.6000000E-03 C 2.242200 -0.3714000 1.0000000E-03 C 2.177000 -1.761200 -2.8800000E-02 H 1.164100 1.459700 -1.0300000E-02 H -3.548700 0.4148000 5.0600000E-02 H -1.577500 -3.374500 -4.0600002E-02 H 0.9105000 -3.490100 -5.8499999E-02 H 3.070200 -2.380600 -4.7600001E-02 H -1.442100 2.419200 -2.153900 H -4.596100 -1.488700 1.9300001E-02 %chk=000110415-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000110415 0 1 S -1.558224 2.299539 0.037388 O -0.929974 2.515703 -1.693637 O -3.913156 -2.358294 0.060729 O -3.119172 2.716748 0.116012 O -0.493240 2.982354 1.045089 O 4.610155 -0.477638 -0.054063 O 3.584719 1.560310 -0.109500 N 3.557176 0.271552 -0.065192 C -0.190172 -0.262100 0.012167 C -0.260807 -1.718556 0.023964 C -1.449503 0.413290 0.018622 C 1.083672 0.383422 -0.012827 C -2.685226 -0.214837 0.030856 C -1.524394 -2.377796 0.040800 C 0.965351 -2.467579 0.012898 C -2.715663 -1.645640 0.044942 C 2.234851 -0.403118 -0.028070 C 2.199942 -1.830848 -0.012521 H 1.177229 1.472426 -0.012663 H -3.602903 0.387282 0.032490 H -1.576932 -3.470415 0.050347 H 0.911394 -3.561160 0.022616 H 3.141718 -2.384423 -0.022572 H -0.762558 3.492854 -1.838454 H -4.703884 -1.763475 0.059477