%chk=000057888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057888

0 1
 O    3.700400       1.472100      -2.614800    
 O    1.861200       1.573700     -0.2648000    
 O    1.447300       3.231400       1.277800    
 N    3.711300     -0.9890000      0.1516000    
 N   -4.307500      0.4945000      0.3759000    
 C    3.517400     -0.4469000      -1.186300    
 C    3.961700       1.014400      -1.284900    
 C    3.170800      -2.347000      0.2426000    
 C    3.238600       1.934000     -0.3034000    
 C    1.669900      -2.346600      0.3617000    
 C    5.131200     -0.9840000      0.5106000    
 C   0.8792000      -2.388900     -0.7866000    
 C    1.070100      -2.304200       1.620300    
 C  -0.3291000       1.833200      0.5202000    
 C    1.077100       2.307100      0.5708000    
 C   -4.888200     -9.0400003E-02 -0.7930000    
 C   -2.971300      0.9433000      0.4247000    
 C  -0.5113000      -2.388900     -0.6763000    
 C  -0.3204000      -2.304200       1.730700    
 C   -6.359300     -0.4178000     -0.5591000    
 C   -1.145500       1.949800       1.645400    
 C  -0.8339000       1.271700     -0.6525000    
 C   -2.466500       1.504900       1.597600    
 C   -2.155100      0.8266000     -0.7003000    
 C   -1.111100      -2.346500      0.5824000    
 C   -7.037000      -1.002400      -1.790500    
 H    4.062200      -1.035100      -1.938500    
 H    2.471700     -0.4852000      -1.504500    
 H    5.043900       1.116100      -1.156100    
 H    3.562300      -2.855400       1.135000    
 H    3.489800      -2.972200     -0.6030000    
 H    3.662000       1.817900      0.7009000    
 H    3.330900       2.981300     -0.6140000    
 H    5.524400      3.0600000E-02  0.6226000    
 H    5.745400      -1.524900     -0.2185000    
 H    5.280600      -1.453900       1.490200    
 H    4.033600       2.383100      -2.684300    
 H    1.328100      -2.444500      -1.774600    
 H    1.674300      -2.267800       2.522900    
 H   -4.820300      0.6033000      -1.640100    
 H   -4.358300      -1.012200      -1.062300    
 H   -6.451800      -1.128000      0.2719000    
 H   -6.896500      0.4892000     -0.2551000    
 H   -1.127300      -2.426700      -1.570000    
 H  -0.7877000      -2.269700       2.710500    
 H   -4.860700      0.5875000       1.220700    
 H  -0.7660000       2.381800       2.567600    
 H  -0.2232000       1.177800      -1.546600    
 H   -3.092100       1.600300       2.481400    
 H   -2.506800      0.3962000      -1.633000    
 H   -2.193800      -2.349200      0.6684000    
 H   -7.000300     -0.2986000      -2.628100    
 H   -8.087300      -1.223600      -1.576800    
 H   -6.548900      -1.931900      -2.100300    


%chk=000057888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057888

0 1
O 3.109714 1.758184 -2.430616
O 1.529408 1.514733 -0.158296
O 1.206290 1.832841 2.130138
N 4.386000 -1.004508 -0.155005
N -4.868377 0.794119 0.050441
C 3.631474 -0.358799 -1.258310
C 3.681498 1.188570 -1.198067
C 3.970387 -2.414216 0.075281
C 2.985382 1.759007 0.040765
C 2.547164 -2.562651 0.602577
C 5.852145 -0.904730 -0.325967
C 1.708465 -3.596682 0.117905
C 2.057541 -1.707660 1.622189
C -0.711512 1.383829 0.697374
C 0.718544 1.597572 0.993295
C -5.490025 0.486638 -1.243274
C -3.508571 0.983919 0.246370
C 0.408628 -3.780200 0.644856
C 0.757113 -1.881073 2.143538
C -7.017009 0.337744 -1.094343
C -1.643783 1.487019 1.769437
C -1.201715 1.078168 -0.599819
C -3.011725 1.292530 1.554276
C -2.572180 0.880159 -0.830061
C -0.071410 -2.921148 1.659757
C -7.702581 0.019710 -2.439209
H 4.009930 -0.667628 -2.263127
H 2.575017 -0.675360 -1.185365
H 4.728838 1.538918 -1.197008
H 4.675490 -2.833131 0.821756
H 4.084747 -3.036984 -0.848999
H 3.329235 1.257781 0.960382
H 3.138507 2.849580 0.123981
H 6.163931 0.150631 -0.402764
H 6.223613 -1.436851 -1.237801
H 6.356694 -1.338391 0.555932
H 2.122618 1.727569 -2.328742
H 2.073786 -4.260492 -0.676406
H 2.697503 -0.899325 1.992281
H -5.268551 1.291628 -1.976849
H -5.066707 -0.453546 -1.657290
H -7.234867 -0.468031 -0.364792
H -7.434504 1.275909 -0.676046
H -0.228196 -4.584857 0.259107
H 0.391596 -1.200794 2.920924
H -5.485972 0.889900 0.856996
H -1.263069 1.726086 2.768192
H -0.494717 0.989278 -1.429536
H -3.716329 1.378348 2.391212
H -2.920108 0.643059 -1.839608
H -1.082087 -3.053046 2.062506
H -7.522596 0.822274 -3.178307
H -8.794709 -0.083284 -2.312730
H -7.321762 -0.926212 -2.867034


