%chk=000053003.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053003

0 1
 O  -0.1216000      -1.908300     -0.8632000    
 O    5.847100     -0.5422000      0.3804000    
 O    4.875900       1.400300      0.7007000    
 N   -3.085400      -1.406900      0.2213000    
 N    4.824300      0.1838000      0.3990000    
 C   -2.341800      -1.014300     -0.9868000    
 C  -0.9089000     -0.8106000     -0.7180000    
 C  -0.1600000      0.2800000     -0.3406000    
 C    1.183000     -0.1707000     -0.2442000    
 C    1.153100      -1.521500     -0.5752000    
 C   -2.552000      -2.655700      0.7551000    
 C   -4.506200      -1.538300     -8.4799998E-02
 C  -0.7192000       1.580300     -0.1118000    
 C    2.418700      0.4128000      8.5600004E-02
 C    2.277600      -2.344500     -0.6024000    
 C   -3.303000      -3.084000       2.004400    
 C   -5.081700     -0.2275000     -0.5935000    
 C    3.567600     -0.3899000      6.7199998E-02
 C    3.495600      -1.743600     -0.2712000    
 C  -0.8144000       2.495400      -1.161600    
 C   -1.169600       1.933800       1.161300    
 C   -1.358100       3.760400     -0.9389000    
 C   -1.713400       3.198900       1.383800    
 C   -1.807600       4.112200      0.3337000    
 H   -2.716000     -6.9499999E-02  -1.393500    
 H   -2.466800      -1.762600      -1.781500    
 H   -2.578100      -3.466700      1.6200000E-02
 H   -1.512600      -2.529200       1.074800    
 H   -4.700100      -2.336300     -0.8125000    
 H   -5.078300      -1.771900      0.8189000    
 H    2.452200       1.466700      0.3456000    
 H    2.213100      -3.393500     -0.8657000    
 H   -3.417300      -2.257900       2.714800    
 H   -4.289100      -3.501300       1.778500    
 H   -2.741900      -3.875200       2.514900    
 H   -4.778100      0.6208000      2.9800000E-02
 H   -4.807200     -2.3300000E-02  -1.632900    
 H   -6.176500     -0.2741000     -0.5673000    
 H    4.381900      -2.374700     -0.2882000    
 H  -0.4688000       2.237500      -2.160000    
 H   -1.104100       1.233700       1.990900    
 H   -1.431700       4.471600      -1.756500    
 H   -2.063900       3.472800       2.374600    
 H   -2.231200       5.097100      0.5070000    


%chk=000053003-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053003

0 1
O -0.057416 -2.060913 -1.001900
O 5.979584 -0.407468 0.037382
O 4.888672 1.546926 0.470163
N -3.178988 -1.452736 0.241370
N 4.902597 0.301924 0.123298
C -2.380907 -1.209385 -1.003113
C -0.927102 -0.944908 -0.759356
C -0.196101 0.184676 -0.405242
C 1.212540 -0.222743 -0.404020
C 1.242991 -1.600331 -0.779234
C -2.648459 -2.611385 1.021541
C -4.627361 -1.613633 -0.083939
C -0.736450 1.526597 -0.101292
C 2.431271 0.417458 -0.090365
C 2.414029 -2.366826 -0.885855
C -3.221248 -2.697649 2.448197
C -5.283681 -0.350973 -0.675207
C 3.610162 -0.349960 -0.196602
C 3.626313 -1.717081 -0.590699
C -0.019333 2.697656 -0.476696
C -1.983105 1.673646 0.570618
C -0.530911 3.979418 -0.184700
C -2.491616 2.958602 0.856559
C -1.768576 4.116509 0.486252
H -2.807959 -0.321055 -1.500923
H -2.457727 -2.068144 -1.715299
H -2.823817 -3.575676 0.479586
H -1.553823 -2.485296 1.093255
H -4.786683 -2.479054 -0.779148
H -5.144528 -1.863440 0.858306
H 2.491788 1.455981 0.241534
H 2.381256 -3.418522 -1.180747
H -3.090765 -1.733239 2.970239
H -4.294050 -2.959102 2.464688
H -2.685162 -3.477695 3.019062
H -5.082480 0.526695 -0.035874
H -4.931633 -0.122590 -1.696731
H -6.378178 -0.493726 -0.732258
H 4.584339 -2.238505 -0.649606
H 0.922178 2.608252 -1.029656
H -2.534656 0.772899 0.872346
H 0.033011 4.869613 -0.484455
H -3.449553 3.056635 1.380176
H -2.162964 5.112450 0.716544


