%chk=000133733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133733

0 1
 O   -2.143100      0.5986000     -0.4936000    
 O  -0.2753000      -2.809000       1.584500    
 O    1.787000       3.255000      0.1387000    
 N  -0.6609000       2.093900      0.4702000    
 N    1.482800      -2.153200      0.1638000    
 N   -3.492900      0.4785000     -0.8011000    
 N   -1.591600      -3.244400       1.491400    
 C    2.923100     -0.1651000     -2.9600000E-02
 C    2.968800       1.230300     -3.2099999E-02
 C   0.4457000       1.309100      0.3149000    
 C    1.635900     -0.8651000      0.1456000    
 C    1.738400       2.029200      0.1395000    
 C   0.4242000     -2.9300001E-02  0.3140000    
 C   -1.969600       1.789200      8.5900001E-02
 C    4.105300     -0.8995000     -0.1938000    
 C    4.194100       1.889000     -0.1985000    
 C   -3.103600       2.489100      0.1954000    
 C   0.1664000      -2.601700      0.3435000    
 C    5.323300     -0.2390000     -0.3589000    
 C   -4.046100       1.619600     -0.3802000    
 C    5.367700       1.152900     -0.3612000    
 C  -0.7546000      -2.864500     -0.5923000    
 C   -3.328500       3.827300      0.7671000    
 C   -1.855600      -3.269600      0.1819000    
 C   -5.492700       1.833700     -0.5527000    
 C  -0.6614000      -2.763000      -2.058300    
 C   -3.187000      -3.692200     -0.2840000    
 H  -0.5213000     -0.4848000      0.5582000    
 H  -0.4648000       3.045700      0.7708000    
 H    4.096600      -1.986200     -0.1957000    
 H    4.256100       2.974000     -0.2040000    
 H    6.237600     -0.8114000     -0.4858000    
 H    6.316400       1.665700     -0.4898000    
 H   -4.323200       3.904400       1.217900    
 H   -2.596400       4.056800       1.548300    
 H   -3.247000       4.592600     -1.1400000E-02
 H   -5.686100       2.796400      -1.037200    
 H   -5.949700       1.053700      -1.170900    
 H   -5.997800       1.831500      0.4185000    
 H   0.3793000      -2.723300      -2.395800    
 H   -1.131800      -3.625700      -2.541200    
 H   -1.165800      -1.857200      -2.409900    
 H   -3.601200      -2.960400     -0.9853000    
 H   -3.124200      -4.658400     -0.7950000    
 H   -3.895700      -3.795000      0.5446000    


%chk=000133733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133733

0 1
O -2.541003 0.734986 -0.026917
O 0.466929 -4.105425 1.185586
O 1.674441 3.349944 -0.218972
N -0.704142 2.270400 -0.034587
N 1.472803 -2.156275 0.377723
N -4.029742 0.794949 -0.023567
N -0.674811 -4.969703 0.921165
C 2.800621 -0.165032 0.146915
C 2.889793 1.252666 -0.012402
C 0.352333 1.366623 0.016156
C 1.470810 -0.827063 0.214573
C 1.668812 2.073798 -0.088733
C 0.274047 -0.010848 0.161561
C -2.064760 2.049439 -0.013635
C 3.994388 -0.924947 0.229650
C 4.159477 1.883429 -0.092547
C -3.125985 2.955372 0.001114
C 0.391759 -2.982600 0.311012
C 5.250030 -0.290276 0.156185
C -4.303601 2.124602 -0.008883
C 5.335630 1.117372 -0.009736
C -0.732885 -3.141822 -0.525911
C -3.059737 4.459361 0.007565
C -1.336092 -4.381311 -0.111005
C -5.739499 2.570095 0.006239
C -1.187863 -2.285033 -1.675560
C -2.566211 -5.036894 -0.672090
H -0.696876 -0.493409 0.277701
H -0.368331 3.245492 -0.123050
H 3.905358 -2.007341 0.356772
H 4.191295 2.970382 -0.216654
H 6.165474 -0.887415 0.227803
H 6.314673 1.603959 -0.070255
H -3.922583 4.888849 0.545925
H -2.147423 4.829771 0.510642
H -3.069507 4.880872 -1.016210
H -5.966835 3.204558 -0.869298
H -6.410177 1.696048 -0.011030
H -5.959737 3.159672 0.914928
H -0.360578 -1.673062 -2.074663
H -1.574955 -2.913683 -2.497546
H -1.998012 -1.589557 -1.382652
H -3.440125 -4.364186 -0.604599
H -2.426226 -5.297730 -1.737529
H -2.790176 -5.960828 -0.114788


