%chk=000095715.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000095715 0 1 O -0.9681000 -2.477800 -2.0300001E-02 O 0.9681000 2.477800 2.1100000E-02 N -2.785400 -0.4174000 -5.3500000E-02 N 2.785400 0.4174000 5.2999999E-02 C -3.655600 0.5500000 -0.7155000 C -3.655400 0.4088000 0.7786000 C 3.655500 -0.5498000 0.7155000 C 3.655500 -0.4090000 -0.7787000 C -1.447900 -0.1496000 -2.8300000E-02 C 1.447800 0.1497000 2.7799999E-02 C -0.5395000 -1.327300 -1.1300000E-02 C 0.5396000 1.327300 1.1800000E-02 C -0.9173000 1.078600 -1.6899999E-02 C 0.9173000 -1.078600 1.6600000E-02 H -4.457900 7.9899997E-02 -1.268700 H -3.213100 1.415800 -1.182300 H -3.190000 1.166700 1.390800 H -4.455400 -0.1549000 1.238100 H 3.213000 -1.415400 1.182500 H 4.457700 -7.9499997E-02 1.268700 H 4.455600 0.1544000 -1.238200 H 3.190200 -1.167100 -1.390600 H -1.512900 1.985800 -1.3300000E-02 H 1.512900 -1.985900 1.2900000E-02 %chk=000095715-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000095715 0 1 O -1.515867 -1.839077 1.380343 O 1.515760 1.839129 -1.380272 N -2.792627 -0.033788 -0.286737 N 2.792555 0.033625 0.286607 C -3.872650 0.967003 -0.320681 C -3.894883 -0.227049 0.660729 C 3.872750 -0.966948 0.320704 C 3.894900 0.227132 -0.660675 C -1.431744 0.055999 -0.145651 C 1.431687 -0.056133 0.145534 C -0.782828 -1.005853 0.742055 C 0.782765 1.005698 -0.742209 C -0.663104 0.997622 -0.819920 C 0.663036 -0.997757 0.819797 H -4.524014 0.949911 -1.200779 H -3.649378 1.963839 0.081571 H -3.690740 -0.036058 1.719694 H -4.556264 -1.075682 0.462090 H 3.649758 -1.963816 -0.081628 H 4.523975 -0.949758 1.200907 H 4.556107 1.075876 -0.461924 H 3.690995 0.036093 -1.719677 H -1.126791 1.756659 -1.458948 H 1.126700 -1.756765 1.458871