%chk=000054782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054782

0 1
 O   -2.417500      -3.460300     -0.6732000    
 O    4.267300     -0.1447000      -1.911900    
 O   -5.568400       1.876800     -0.1616000    
 O   -3.501100       2.790300      0.2749000    
 N   0.2587000     -0.7866000       1.110800    
 N    2.910800      0.1143000      0.5507000    
 C  -0.8544000      -1.735100       1.122500    
 C   0.6668000     -0.4882000     -0.2673000    
 C    1.399200      -1.322100       1.864500    
 C  -0.3469000      -3.058600      0.5419000    
 C    1.794400      0.5466000     -0.2955000    
 C    2.550300     -0.3145000       1.907900    
 C   -2.081400      -1.268600      0.3673000    
 C   -1.526900      -3.987200      0.3134000    
 C   -2.781300      -2.152300     -0.4711000    
 C    4.185000      0.6567000      0.3491000    
 C   -2.582000      3.3700000E-02  0.5280000    
 C   -3.907000      -1.721900      -1.180600    
 C   -3.715100      0.4568000     -0.1700000    
 C    4.859000      0.5251000     -0.8827000    
 C   -4.372200     -0.4180000      -1.030100    
 C    4.835200       1.357500       1.385300    
 C    6.128800       1.071400      -1.069700    
 C    6.105100       1.903600       1.198100    
 C   -4.212100       1.812700      6.8000001E-03
 C    6.751900       1.760500     -2.9300001E-02
 C    5.003200     -0.2410000      -3.129500    
 C   -6.178800       3.163400     -1.3700000E-02
 C   -7.670400       3.029900     -0.2351000    
 H   -1.179600      -1.900900       2.159200    
 H    1.054000      -1.354900     -0.8103000    
 H  -0.1544000     -7.2899997E-02 -0.8607000    
 H    1.101800      -1.554200       2.894200    
 H    1.816600      -2.232700       1.420100    
 H   0.1500000      -2.978300     -0.4270000    
 H   0.3273000      -3.576700       1.232100    
 H    2.092500      0.7067000      -1.336300    
 H    1.422200       1.511400      7.3899999E-02
 H    3.401400     -0.7961000       2.406100    
 H    2.251100      0.5549000       2.507500    
 H   -1.171900      -4.955900     -5.4800000E-02
 H   -2.083400      -4.176600       1.239900    
 H   -2.079000      0.7208000       1.205500    
 H   -4.431600      -2.403500      -1.845400    
 H   -5.246900     -0.1122000      -1.598000    
 H    4.361200       1.507300       2.351900    
 H    6.692400       1.001400      -1.993500    
 H    6.589000       2.443800       2.006600    
 H    7.740200       2.187100     -0.1740000    
 H    5.930000     -0.8098000      -2.998000    
 H    4.383800     -0.8041000      -3.835500    
 H    5.176300      0.7440000      -3.576400    
 H   -5.754000       3.854000     -0.7504000    
 H   -5.985300       3.543700      0.9953000    
 H   -8.105100       2.327000      0.4832000    
 H   -7.877400       2.631800      -1.234000    
 H   -8.169700       3.997000     -0.1296000    


%chk=000054782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054782

0 1
O -2.937189 -3.937747 -0.205609
O 4.116903 0.245842 -1.987761
O -5.109805 2.061543 -0.279835
O -3.047305 2.505948 0.714661
N 0.309705 -1.273280 0.913781
N 2.821349 0.071647 0.485526
C -0.789794 -2.259177 1.027926
C 0.761627 -0.948005 -0.459933
C 1.464058 -1.529146 1.798784
C -0.526027 -3.649012 0.369545
C 1.668943 0.291825 -0.429939
C 2.385499 -0.294037 1.848163
C -2.115221 -1.693651 0.496568
C -1.773761 -4.526937 0.504953
C -3.098115 -2.550576 -0.080607
C 3.981531 0.877915 0.344992
C -2.405855 -0.317548 0.577057
C -4.318756 -2.031181 -0.580591
C -3.626527 0.215257 0.094748
C 4.668951 0.982387 -0.916279
C -4.584522 -0.656750 -0.492476
C 4.556750 1.564179 1.450818
C 5.842143 1.756416 -1.040476
C 5.745362 2.318630 1.329522
C -3.855797 1.676924 0.221280
C 6.388276 2.425419 0.081261
C 4.836435 0.259275 -3.261542
C -5.422411 3.516592 -0.186773
C -6.822697 3.703930 -0.762817
H -0.913517 -2.435846 2.119054
H 1.332291 -1.788433 -0.923895
H -0.122459 -0.737506 -1.087740
H 1.094665 -1.740274 2.820696
H 2.074943 -2.404256 1.461515
H -0.283564 -3.528429 -0.702370
H 0.330766 -4.150960 0.856378
H 2.051872 0.494080 -1.440166
H 1.071927 1.167158 -0.085496
H 3.274001 -0.537462 2.457802
H 1.834679 0.540692 2.343413
H -1.645953 -5.517602 0.039991
H -2.056041 -4.659888 1.569425
H -1.657343 0.352788 1.012095
H -5.038551 -2.726817 -1.022158
H -5.525172 -0.245621 -0.868098
H 4.052437 1.526658 2.420874
H 6.352082 1.828145 -2.005877
H 6.151408 2.832012 2.207919
H 7.303514 3.016256 -0.029704
H 5.865352 -0.133939 -3.146138
H 4.258258 -0.402772 -3.923564
H 4.876785 1.277252 -3.696531
H -4.654028 4.076740 -0.750395
H -5.355903 3.821736 0.873488
H -7.564894 3.120904 -0.190917
H -6.862145 3.379974 -1.817052
H -7.107459 4.771027 -0.715996


