%chk=000091665.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000091665 0 1 O -3.297400 0.3615000 -9.2799999E-02 N -1.010400 0.6540000 -1.8100001E-02 C 0.2608000 9.7099997E-02 1.9000000E-03 C -0.8832000 2.113400 -0.1208000 C 0.6182000 2.435500 6.8899997E-02 C 1.242100 1.075000 3.6899999E-02 C 0.5167000 -1.257900 -4.8999999E-02 C -0.6459000 -2.184800 -0.2172000 C -1.937300 -1.578000 0.3502000 C -2.162400 -9.9699996E-02 2.0900000E-02 C 2.570400 0.6992000 5.5500001E-02 C 1.855100 -1.644600 -4.9500000E-02 C 2.873200 -0.6707000 1.3200000E-02 H -1.516100 2.595100 0.6316000 H -1.239600 2.415800 -1.112200 H 0.7926000 2.913300 1.038200 H 0.9889000 3.079200 -0.7339000 H -0.7759000 -2.380100 -1.288700 H -0.4478000 -3.142200 0.2777000 H -1.924800 -1.652800 1.445300 H -2.797600 -2.152900 -9.9999998E-03 H 3.364100 1.437300 9.4800003E-02 H 2.125200 -2.695400 -0.1095000 H 3.913100 -0.9881000 1.6200000E-02 %chk=000091665-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000091665 0 1 O -3.329912 0.432690 0.042157 N -1.015350 0.647292 -0.076008 C 0.282502 0.085331 -0.032839 C -0.929995 2.133157 -0.185627 C 0.586993 2.453297 0.069235 C 1.270923 1.085863 0.034561 C 0.543584 -1.295123 -0.089661 C -0.663767 -2.203717 -0.266207 C -1.933976 -1.587119 0.385364 C -2.177855 -0.095337 0.078552 C 2.620830 0.692043 0.073916 C 1.905129 -1.675434 -0.040798 C 2.928866 -0.695914 0.042053 H -1.608798 2.598302 0.547831 H -1.255360 2.449226 -1.193276 H 0.728719 2.940084 1.052457 H 0.983699 3.142673 -0.696298 H -0.849288 -2.349368 -1.350889 H -0.475882 -3.207204 0.157126 H -1.861239 -1.668769 1.489268 H -2.842781 -2.132138 0.080892 H 3.425632 1.433438 0.129622 H 2.173366 -2.738225 -0.077911 H 3.975960 -1.015847 0.076082