%chk=000097133.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097133

0 1
 O   -1.488400       3.568100      6.8800002E-02
 O    1.041000       3.899500     -0.8316000    
 N   -2.502800     -0.4705000      0.5485000    
 N   8.9000002E-02  0.3067000      0.5618000    
 N    1.690500       1.743900     -0.3894000    
 C   -2.574600     -0.3633000     -0.9155000    
 C   -3.745800      -1.025900       1.102100    
 C   -2.825200      -1.728900      -1.557300    
 C   -4.034800      -2.412900      0.5262000    
 C   -4.083400      -2.382100     -0.9972000    
 C   -2.216000      0.8344000       1.143700    
 C  -0.8935000       1.273800      0.5812000    
 C  -0.6139000       2.507700      0.1138000    
 C    1.349600      0.5716000      7.3299997E-02
 C   0.7713000       2.777800     -0.4081000    
 C    2.381000     -0.5107000      6.8300001E-02
 C    3.727300     -0.1830000      0.1971000    
 C    1.987900      -1.838900     -6.5399997E-02
 C    4.689600      -1.192800      0.1921000    
 C    2.950100      -2.848800     -7.0400000E-02
 C    4.300900      -2.525700      5.8300000E-02
 H   -1.652800      1.1300000E-02  -1.371800    
 H   -3.376800      0.3267000      -1.211600    
 H   -4.595200     -0.3599000      0.9009000    
 H   -3.656900      -1.120600       2.191100    
 H   -1.961900      -2.382700      -1.378800    
 H   -2.922000      -1.616200      -2.643200    
 H   -4.987500      -2.785800      0.9189000    
 H   -3.257200      -3.115300      0.8526000    
 H   -4.965500      -1.817800      -1.323900    
 H   -4.186900      -3.399000      -1.391200    
 H   -3.010300       1.560900      0.9332000    
 H   -2.120200      0.7442000       2.232700    
 H  -0.1565000     -0.5974000      0.9511000    
 H   -1.016600       4.327700     -0.3140000    
 H    4.052800      0.8475000      0.3105000    
 H   0.9449000      -2.117800     -0.1847000    
 H    5.741300     -0.9417000      0.2939000    
 H    2.648200      -3.886400     -0.1784000    
 H    5.050100      -3.312000      5.3800002E-02


%chk=000097133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097133

0 1
O -1.247449 3.893231 0.405678
O 1.372799 4.227934 -0.004281
N -2.554360 -0.348712 0.258089
N 0.000860 0.442455 0.413429
N 1.855914 1.903847 0.094777
C -2.801110 -0.401220 -1.215020
C -3.600851 -1.087790 1.020120
C -2.844501 -1.856441 -1.719129
C -3.661356 -2.562947 0.576354
C -3.906275 -2.671922 -0.946228
C -2.361554 1.049550 0.732660
C -0.928704 1.481596 0.482911
C -0.448055 2.765001 0.353493
C 1.351838 0.665153 0.228702
C 0.997476 3.007712 0.135134
C 2.266269 -0.507337 0.174801
C 3.623749 -0.284493 -0.179982
C 1.838063 -1.831348 0.468030
C 4.529853 -1.361102 -0.247730
C 2.748378 -2.907183 0.399369
C 4.096696 -2.677510 0.039276
H -1.995608 0.162364 -1.721341
H -3.765886 0.108327 -1.461290
H -4.605486 -0.617626 0.873343
H -3.357310 -1.020101 2.096763
H -1.846636 -2.318408 -1.582179
H -3.061732 -1.858842 -2.803850
H -4.461314 -3.079735 1.139609
H -2.702583 -3.054951 0.833931
H -4.916017 -2.278308 -1.183957
H -3.889736 -3.730641 -1.265164
H -3.052761 1.777679 0.255790
H -2.567818 1.079750 1.820731
H -0.455217 -0.487925 0.430204
H -0.600373 4.656261 0.256537
H 3.931280 0.744125 -0.390665
H 0.806187 -2.042632 0.774536
H 5.573596 -1.175426 -0.523240
H 2.408835 -3.922163 0.633236
H 4.801699 -3.514519 -0.012050


