%chk=000096671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096671

0 1
 O    6.135500     -0.1439000      6.0000003E-04
 O    5.359500       1.914200     -3.9999999E-04
 N  -7.5400002E-02  -1.310100     -9.9999997E-05
 N   -1.127600     -0.4688000     -5.0000002E-04
 N    5.183300      0.6723000      3.9999999E-04
 C    1.238000     -0.8151000     -1.9999999E-04
 C    3.854700      0.1715000      9.9999997E-05
 C    2.322800      -1.696900     -9.9999997E-05
 C    1.470600      0.5637000     -9.9999997E-05
 C    3.628000      -1.204900      1.9999999E-04
 C    2.775900       1.055900       0.000000    
 C   -3.543500     -0.3206000     -3.0000001E-04
 C   -4.757300      -1.008100      1.9999999E-04
 C   -3.532100       1.074300     -3.0000001E-04
 C   -2.290300      -1.058200     -1.9999999E-04
 C   -5.959500     -0.3008000      3.9999999E-04
 C   -4.734400       1.781500       0.000000    
 C   -5.948100       1.093900      5.0000002E-04
 H    2.160400      -2.772000     -9.9999997E-05
 H   0.6545000       1.281700     -9.9999997E-05
 H    4.443500      -1.923800      3.0000001E-04
 H    2.914200       2.134100      9.9999997E-05
 H  -0.2100000      -2.315000     -8.9999998E-04
 H   -4.782700      -2.094800      3.9999999E-04
 H   -2.602100       1.636500     -5.0000002E-04
 H   -2.363300      -2.162000      9.9999997E-05
 H   -6.904600     -0.8359000      6.9999998E-04
 H   -4.725900       2.867600       0.000000    
 H   -6.884200       1.644700      6.9999998E-04


%chk=000096671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096671

0 1
O 6.231958 -0.146246 -0.000571
O 5.415332 1.988106 -0.000706
N -0.037297 -1.356797 0.000057
N -1.142894 -0.538293 0.000074
N 5.251687 0.702373 0.000145
C 1.255384 -0.825780 0.000076
C 3.880693 0.177395 0.000112
C 2.365404 -1.721557 0.000072
C 1.478631 0.582118 0.000093
C 3.674949 -1.223075 0.000090
C 2.788719 1.079233 0.000103
C -3.568645 -0.325185 0.000058
C -4.818578 -1.005886 -0.000024
C -3.559390 1.100182 0.000173
C -2.331931 -1.111416 0.000032
C -6.029936 -0.282923 0.000000
C -4.770167 1.817210 0.000198
C -6.010963 1.130928 0.000114
H 2.196273 -2.805153 0.000053
H 0.617682 1.253340 0.000093
H 4.540655 -1.890194 0.000092
H 2.988103 2.154033 0.000109
H -0.146705 -2.382040 -0.000005
H -4.837816 -2.103197 -0.000109
H -2.597035 1.621523 0.000243
H -2.444562 -2.215260 -0.000026
H -6.985255 -0.818841 -0.000067
H -4.753669 2.912659 0.000287
H -6.950727 1.693741 0.000135


