%chk=000113225.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113225

0 1
 O   0.3796000      0.3905000       1.406200    
 O    7.723600      -1.905100     -0.1237000    
 N    1.273500       1.379800     -0.4963000    
 N    4.805300      0.3310000      4.5600001E-02
 C   -3.536200      0.3113000     -0.4122000    
 C   -4.673300     -0.3058000      0.4056000    
 C   -2.219900      0.2968000      0.3658000    
 C   -5.980500     -0.3247000     -0.3897000    
 C   -1.078000      0.8816000     -0.4623000    
 C   -7.146300     -0.9551000      0.3750000    
 C   0.2504000      0.8444000      0.2725000    
 C    2.639900       1.464300     -3.5200000E-02
 C    3.423900      0.2132000     -0.4030000    
 C   -8.429800      -1.040500     -0.4365000    
 C    5.570800     -0.8560000     -0.3095000    
 C    6.996900     -0.7258000      0.1979000    
 H   -3.793800       1.342800     -0.6816000    
 H   -3.414000     -0.2468000      -1.348400    
 H   -4.815000      0.2641000       1.331700    
 H   -4.406700      -1.330100      0.6930000    
 H   -1.974700     -0.7328000      0.6549000    
 H   -2.332500      0.8675000       1.296000    
 H   -6.249600      0.7005000     -0.6728000    
 H   -5.825200     -0.8800000      -1.323200    
 H   -1.299000       1.923900     -0.7211000    
 H  -0.9660000      0.3180000      -1.396400    
 H   -6.866200      -1.965800      0.6952000    
 H   -7.338400     -0.3754000       1.285700    
 H    3.081300       2.351000     -0.5038000    
 H    2.639700       1.617600       1.050100    
 H    3.390300      7.5099997E-02  -1.491000    
 H    2.948000     -0.6646000      5.1800001E-02
 H    1.066400       1.722400      -1.430100    
 H   -9.227000      -1.496200      0.1589000    
 H   -8.761800     -4.4599999E-02 -0.7464000    
 H   -8.284100      -1.649000      -1.334600    
 H    4.828100      0.4680000       1.055800    
 H    5.586400     -0.9960000      -1.397400    
 H    5.118100      -1.759300      0.1183000    
 H    7.510000      0.1308000     -0.2521000    
 H    7.021300     -0.6065000       1.286100    
 H    7.721600      -1.995600      -1.091900    


%chk=000113225-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113225

0 1
O 0.422193 1.281324 1.320015
O 7.750590 -2.071679 0.360782
N 1.283716 1.503538 -0.826351
N 4.699317 0.158013 0.114610
C -3.584998 0.578385 -0.408084
C -4.537768 -0.497114 0.161010
C -2.121204 0.390276 0.045470
C -6.008105 -0.302077 -0.272631
C -1.173556 1.460974 -0.544531
C -6.961348 -1.380499 0.291270
C 0.228666 1.397235 0.070100
C 2.685897 1.500059 -0.382812
C 3.312394 0.086011 -0.389846
C -8.428062 -1.177641 -0.146505
C 5.481523 -1.091129 -0.001351
C 6.950206 -0.838030 0.392423
H -3.937922 1.582978 -0.092602
H -3.639747 0.563838 -1.517380
H -4.477275 -0.488083 1.269193
H -4.190931 -1.501696 -0.160179
H -1.766252 -0.618981 -0.246198
H -2.052306 0.441384 1.148343
H -6.357531 0.700109 0.053526
H -6.068896 -0.305843 -1.381502
H -1.587197 2.464391 -0.316001
H -1.131294 1.375143 -1.648867
H -6.611822 -2.381542 -0.034806
H -6.900482 -1.376471 1.398724
H 3.285544 2.170759 -1.023596
H 2.696880 1.899109 0.648262
H 3.344825 -0.303070 -1.426926
H 2.655192 -0.597069 0.198961
H 1.080131 1.563827 -1.824735
H -9.088061 -1.960960 0.269731
H -8.811294 -0.196953 0.193838
H -8.520672 -1.208360 -1.248834
H 4.722313 0.525018 1.077033
H 5.438602 -1.421102 -1.060339
H 5.086465 -1.932877 0.616785
H 7.378897 -0.049206 -0.258980
H 7.018394 -0.498474 1.440974
H 7.792078 -2.404611 -0.571094


