%chk=000029643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029643

0 1
 O   -2.252100     -0.3955000      1.2100000E-02
 O    2.229600      0.8849000     -0.5662000    
 N    4.935800       1.175000     -0.1130000    
 N    2.439700      -1.413200     -0.1343000    
 C    4.418100     -0.1299000     -0.5230000    
 C    6.394800       1.199200     -0.2090000    
 C    4.507800       1.489300       1.249800    
 C    2.903000     -0.1293000     -0.4144000    
 C    6.855800      0.9348000      -1.632300    
 C    5.036900       2.842800       1.693000    
 C    1.098000      -1.827700      4.1600000E-02
 C   8.1200004E-02 -0.8932000     -6.3400000E-02
 C   -1.241200      -1.301300      0.1117000    
 C   0.8305000      -3.158500      0.3167000    
 C   -3.580300     -0.8811000      0.2027000    
 C   -1.527600      -2.638100      0.3892000    
 C   -4.546500      0.2528000      2.3499999E-02
 C  -0.4917000      -3.566600      0.4918000    
 C   -4.912500       1.025300       1.120100    
 C   -5.067000      0.5210000      -1.237700    
 C   -5.810600       2.079400      0.9536000    
 C   -5.965100       1.575400      -1.404200    
 C   -6.336800       2.354600     -0.3084000    
 H    4.851600     -0.9350000      8.3300002E-02
 H    4.623600     -0.3402000      -1.578100    
 H    6.786800       2.190700      3.8400002E-02
 H    6.863700      0.4786000      0.4729000    
 H    4.842500      0.7230000       1.961600    
 H    3.420000       1.550700       1.342200    
 H    7.921700       1.172600      -1.723300    
 H    6.319500       1.559300      -2.355000    
 H    6.745000     -0.1153000      -1.919500    
 H    4.516900       3.156700       2.605500    
 H    4.860600       3.616500      0.9378000    
 H    6.102600       2.818000       1.940800    
 H    3.129700      -2.156300     -4.8000000E-02
 H   0.2274000      0.1559000     -0.2743000    
 H    1.629800      -3.889700      0.3992000    
 H   -3.703300      -1.291300       1.213900    
 H   -3.822200      -1.659100     -0.5337000    
 H   -2.528700      -3.026700      0.5397000    
 H  -0.7135000      -4.607600      0.7086000    
 H   -4.506900      0.8219000       2.107300    
 H   -4.782700     -7.7399999E-02  -2.098800    
 H   -6.099500       2.686600       1.806500    
 H   -6.374400       1.790300      -2.387000    
 H   -7.035800       3.175600     -0.4381000    


%chk=000029643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029643

0 1
O -2.327981 -0.462158 0.134964
O 2.231501 0.766921 -0.533273
N 5.130071 0.982796 -0.136416
N 2.426447 -1.457827 0.195518
C 4.475515 -0.284256 -0.467193
C 6.499218 1.100394 -0.696266
C 5.032040 1.330297 1.305036
C 2.940697 -0.241395 -0.266584
C 6.523284 1.232996 -2.231621
C 5.187421 2.839152 1.572374
C 1.069807 -1.837425 0.402246
C -0.012723 -0.960025 0.167674
C -1.332356 -1.415742 0.398560
C 0.828150 -3.163248 0.866031
C -3.722611 -0.851384 0.359425
C -1.590569 -2.730615 0.859457
C -4.626405 0.322367 0.020207
C -0.491931 -3.591477 1.087966
C -6.028175 0.167535 0.169827
C -4.110823 1.557384 -0.437295
C -6.903223 1.232849 -0.133520
C -4.988647 2.624144 -0.740815
C -6.384997 2.467603 -0.590751
H 4.899751 -1.158732 0.104421
H 4.645847 -0.501542 -1.538610
H 6.951131 2.010109 -0.263765
H 7.149978 0.242566 -0.380106
H 5.773827 0.753443 1.916946
H 4.027000 1.026042 1.650235
H 7.553104 1.435476 -2.579520
H 5.871068 2.065328 -2.546924
H 6.180033 0.315364 -2.743605
H 5.019851 3.055030 2.643856
H 4.445035 3.397091 0.977094
H 6.194137 3.213967 1.312843
H 3.119850 -2.179074 0.411608
H 0.161538 0.057892 -0.183261
H 1.667232 -3.845942 1.048051
H -3.858965 -1.149420 1.421221
H -3.971616 -1.727287 -0.277450
H -2.607320 -3.088349 1.040289
H -0.675420 -4.610983 1.444283
H -6.439586 -0.786976 0.524238
H -3.029672 1.671067 -0.550638
H -7.984538 1.100951 -0.013807
H -4.579180 3.577155 -1.094533
H -7.062594 3.295836 -0.826615


