%chk=000147956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147956

0 1
 O   -5.159000      -1.193900     -0.7669000    
 N    5.300900     -0.2367000     -8.9400001E-02
 N  -0.2364000      0.2560000      0.5750000    
 N  -0.7578000      0.6919000     -0.4782000    
 N   -6.294200       1.194700      0.1955000    
 C    5.874200      -1.477300     -0.5721000    
 C    6.180200      0.8695000      0.2323000    
 C    3.905900     -0.1123000      7.7900000E-02
 C    3.364300       1.081000      0.5559000    
 C    3.067800      -1.182800     -0.2345000    
 C    5.992600      -2.474900      0.5642000    
 C    6.203300       1.867400     -0.9096000    
 C    1.984800       1.204000      0.7215000    
 C    1.688200      -1.059800     -6.8899997E-02
 C    1.146800      0.1336000      0.4091000    
 C   -4.357900     -0.1355000     -0.4570000    
 C   -2.147800      0.8145000     -0.3110000    
 C   -4.899900       1.057400      2.1600001E-02
 C   -2.978200     -0.2573000     -0.6237000    
 C   -2.683100       2.006800      0.1667000    
 C   -4.062400       2.128500      0.3333000    
 C   -4.936600      -2.405900     -4.9699999E-02
 C   -6.195900      -2.768900      0.7080000    
 H    5.328400      -1.893300      -1.426300    
 H    6.882700      -1.290100     -0.9640000    
 H    5.929400       1.346300       1.186500    
 H    7.203500      0.4989000      0.3777000    
 H    3.958700       1.948200      0.8204000    
 H    3.423100      -2.135100     -0.6117000    
 H    6.614400      -2.073900       1.372300    
 H    5.025500      -2.743000      0.9984000    
 H    6.463600      -3.396300      0.2065000    
 H    6.541200       1.390900      -1.836600    
 H    5.224300       2.311600      -1.109200    
 H    6.897800       2.682300     -0.6811000    
 H    1.571400       2.137000       1.096100    
 H    1.042500      -1.899000     -0.3145000    
 H   -2.550500      -1.181000      -1.006200    
 H   -2.037800       2.846200      0.4114000    
 H   -4.472000       3.063500      0.7070000    
 H   -4.698100      -3.188600     -0.7774000    
 H   -4.099600      -2.332900      0.6555000    
 H   -6.906600      0.4205000     -2.4700001E-02
 H   -6.679600       2.062100      0.5446000    
 H   -6.071800      -3.715700       1.241300    
 H   -6.449700      -1.987500       1.431800    
 H   -7.046400      -2.857800      2.4000000E-02


%chk=000147956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147956

0 1
O -5.428996 -0.988266 0.155965
N 5.335259 -0.304083 -0.112475
N -0.350808 -0.005850 0.132811
N -0.910332 1.184217 0.247720
N -6.562383 1.399794 0.424464
C 6.010404 -1.600175 -0.322705
C 6.205853 0.881164 0.022882
C 3.940286 -0.205774 -0.047152
C 3.284851 1.070640 0.050617
C 3.104362 -1.370966 -0.077713
C 6.264419 -2.385122 0.986643
C 6.450554 1.625416 -1.311509
C 1.891090 1.172517 0.117906
C 1.707640 -1.257458 -0.020410
C 1.067867 0.007746 0.081256
C -4.523294 0.092994 0.241733
C -2.329053 1.171170 0.288696
C -5.175904 1.368191 0.384857
C -3.131622 -0.010186 0.196004
C -2.963704 2.432926 0.428093
C -4.366571 2.531030 0.477093
C -4.857024 -2.338063 -0.001186
C -6.026357 -3.314345 -0.096637
H 5.420463 -2.214252 -1.028147
H 6.976444 -1.400001 -0.823803
H 5.777374 1.571895 0.772267
H 7.174473 0.542756 0.437466
H 3.875386 1.991509 0.058829
H 3.546158 -2.369668 -0.132877
H 6.896133 -1.798847 1.678325
H 5.315931 -2.609880 1.504372
H 6.780983 -3.339706 0.773790
H 6.929414 0.958296 -2.051107
H 5.500853 1.983609 -1.744926
H 7.113337 2.496838 -1.154362
H 1.403014 2.149763 0.189833
H 1.075531 -2.152115 -0.043769
H -2.609331 -0.965240 0.089978
H -2.331237 3.323640 0.496893
H -4.847593 3.510219 0.586336
H -4.231804 -2.363921 -0.916814
H -4.209765 -2.562226 0.870990
H -7.072905 0.523221 0.350967
H -7.065787 2.275451 0.524896
H -5.648213 -4.346112 -0.214264
H -6.646916 -3.273172 0.815210
H -6.664279 -3.076273 -0.965237


