%chk=000125704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125704

0 1
 O    5.548500      0.3720000       2.450200    
 O    3.240800      -3.030600     -0.4662000    
 O    3.325300      0.3347000       2.904300    
 O    3.616400       3.521000      -1.900000    
 O    5.190000       2.019100      -2.544800    
 N    2.768000      -1.073400      0.6849000    
 N   -4.802400      0.6435000      0.9836000    
 N   -3.825300       2.739900       1.090900    
 N   -1.912700       3.307300     -0.2579000    
 N  -0.9908000       1.720000      -1.728500    
 N   -2.848200       4.870800       1.212600    
 C   -3.194600      -3.484100     -0.2289000    
 C    4.129300     -0.6183000      0.8121000    
 C   -4.021300      -2.465700      -1.038900    
 C    4.581900      0.2359000     -0.3783000    
 C   -1.739400      -3.166500     -0.1577000    
 C   -3.936100      -1.061600     -0.4918000    
 C    3.813700       1.546600     -0.5907000    
 C   0.9835000      -2.574900     -2.4200000E-02
 C  -0.8693000      -3.663700      -1.128100    
 C   -1.248100      -2.373600      0.8793000    
 C    2.433600      -2.259800      4.6500001E-02
 C   0.4922000      -3.367900      -1.061200    
 C   0.1134000      -2.077800      0.9461000    
 C   -2.960400     -0.1779000     -0.9181000    
 C   -2.917800       1.117800     -0.3829000    
 C    4.255600      8.1400000E-02   2.149800    
 C   -4.827600     -0.6038000      0.4550000    
 C   -3.860800       1.505600      0.5763000    
 C    4.289800       2.346300      -1.784200    
 C   -1.967300       2.062900     -0.7610000    
 C   -2.859900       3.574800      0.6519000    
 H    4.767700      -1.509700      0.8650000    
 H   -3.600700      -3.558600      0.7890000    
 H   -3.333300      -4.480700     -0.6681000    
 H   -5.070800      -2.786000      -1.057300    
 H   -3.690700      -2.464200      -2.085900    
 H    5.647300      0.4746000     -0.2621000    
 H    4.506500     -0.3644000      -1.294800    
 H    2.040700     -0.4463000       1.012800    
 H    3.920100       2.181100      0.2961000    
 H    2.750400       1.330500     -0.7431000    
 H   -1.240500      -4.279900      -1.942700    
 H   -1.910800      -1.991300       1.651400    
 H    1.153200      -3.760200      -1.829500    
 H   0.4588000      -1.484200       1.787300    
 H   -2.254900     -0.5073000      -1.675500    
 H   -5.619500      -1.239200      0.8397000    
 H    5.630900      0.8105000       3.323800    
 H  -0.3442000       2.458500      -1.981000    
 H  -0.6179000      0.7789000      -1.723900    
 H    3.934200       4.050600      -2.662000    
 H   -2.145000       5.533800      0.9171000    
 H   -3.542800       5.119800       1.903200    


%chk=000125704-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125704

0 1
O 5.864025 0.246198 1.996088
O 2.686511 -1.778319 -1.355933
O 3.800169 -0.041378 3.020588
O 1.782109 2.394856 -1.054813
O 1.861836 3.546854 0.934641
N 2.581559 -0.659425 0.666320
N -4.468528 0.971051 0.212228
N -2.775619 2.591081 0.461090
N -0.690103 2.343239 -0.747491
N -0.186547 0.639432 -2.230312
N -0.909419 3.977079 0.898626
C -3.500858 -3.435925 0.056139
C 3.984755 -0.231526 0.561259
C -4.277253 -2.641582 -1.070858
C 4.272531 1.005082 -0.355166
C -2.023771 -3.068375 0.102622
C -4.005487 -1.153880 -0.969021
C 3.887549 2.399122 0.190781
C 0.651608 -2.042875 -0.058394
C -1.119366 -3.538248 -0.887179
C -1.537528 -2.132288 1.051962
C 2.035823 -1.487588 -0.295137
C 0.192361 -3.030119 -0.971189
C -0.221552 -1.624965 0.978714
C -2.829957 -0.603542 -1.499438
C -2.403561 0.686007 -1.094178
C 4.497191 -0.011784 1.980189
C -4.811663 -0.277581 -0.168896
C -3.217877 1.441635 -0.160413
C 2.418523 2.802568 0.043207
C -1.093212 1.217320 -1.393939
C -1.501753 2.967884 0.205568
H 4.551648 -1.070220 0.108853
H -3.974535 -3.214215 1.030182
H -3.634673 -4.517105 -0.138793
H -5.356500 -2.861781 -0.969515
H -3.954412 -3.024518 -2.057326
H 5.360955 0.989022 -0.547505
H 3.761369 0.824990 -1.315919
H 2.121779 -0.489129 1.565324
H 4.466878 3.153637 -0.378637
H 4.171178 2.534347 1.249664
H -1.455201 -4.289033 -1.613497
H -2.210496 -1.762541 1.834666
H 0.886606 -3.366423 -1.748837
H 0.086325 -0.872637 1.714831
H -2.203303 -1.219144 -2.154555
H -5.791121 -0.625147 0.188381
H 6.165859 0.400035 2.932146
H 0.779198 0.997653 -2.229459
H -0.381047 -0.244169 -2.693288
H 0.442119 2.577488 -0.884376
H 0.138267 4.038222 0.908954
H -1.474687 4.436961 1.610639


