%chk=000045051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045051

0 1
 O   0.6976000       2.795200      0.6679000    
 O   0.5492000      -1.168800      0.2325000    
 N  -0.5671000       1.102500     -0.2873000    
 C   -1.837300       1.791700     -0.2349000    
 C   -2.730800       1.389900      -1.413200    
 C   -2.541300       1.548500       1.104400    
 C   -3.267600     -3.5300002E-02  -1.280900    
 C   -3.078200      0.1229000       1.232500    
 C   -3.973300     -0.2495000      5.4699998E-02
 C   0.6081000       1.673400      0.1760000    
 C    1.833100      0.8464000      2.6900001E-02
 C    1.741100     -0.5301000      6.2600002E-02
 C    3.038900       1.497200     -0.1444000    
 C    2.903100      -1.288400     -7.9099998E-02
 C    4.201000      0.7387000     -0.2860000    
 C    4.133200     -0.6540000     -0.2533000    
 C   0.5759000      -2.594500      0.2538000    
 C  -0.8072000      -3.096400      0.5050000    
 C   -1.478700      -3.889400     -0.3371000    
 H   -1.628700       2.865600     -0.3189000    
 H   -2.181300       1.484800      -2.357400    
 H   -3.580400       2.082500      -1.468500    
 H   -3.380800       2.249500       1.197000    
 H   -1.862600       1.756400       1.940200    
 H   -2.449200     -0.7571000      -1.384300    
 H   -3.967600     -0.2378000      -2.099600    
 H   -3.643000      2.7000001E-02   2.166800    
 H   -2.240500     -0.5786000       1.296900    
 H   -4.886600      0.3573000      8.5400000E-02
 H   -4.283100      -1.296900      0.1440000    
 H  -0.5543000      0.1668000     -0.6791000    
 H    3.109500       2.580400     -0.1782000    
 H    2.933300      -2.372200     -6.6600002E-02
 H    5.158500       1.232500     -0.4232000    
 H    5.038900      -1.243400     -0.3645000    
 H   0.9418000      -2.983500     -0.7048000    
 H    1.200200      -2.957000       1.080100    
 H   -1.282500      -2.808100       1.438600    
 H   -2.480300      -4.225900     -9.2500001E-02
 H   -1.048900      -4.213300      -1.278400    


%chk=000045051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045051

0 1
O 0.649455 2.907433 0.085853
O 0.629517 -1.344713 -0.195331
N -0.639850 1.024700 -0.347743
C -1.899992 1.794053 -0.429992
C -2.888380 1.104577 -1.402824
C -2.543375 1.972832 0.975599
C -3.459064 -0.221919 -0.840324
C -3.085034 0.638568 1.538807
C -4.090350 -0.015681 0.558872
C 0.562022 1.643848 -0.084405
C 1.806056 0.775604 -0.027886
C 1.858245 -0.651543 -0.081709
C 3.032792 1.474999 0.097788
C 3.098868 -1.332773 -0.022283
C 4.271813 0.807860 0.160512
C 4.301026 -0.602539 0.096760
C 0.644921 -2.826892 -0.137746
C -0.784652 -3.293041 -0.077572
C -1.324359 -4.183386 -0.945252
H -1.625414 2.793642 -0.813971
H -2.393454 0.934345 -2.378161
H -3.727714 1.805796 -1.582323
H -3.375936 2.700471 0.884616
H -1.794978 2.418633 1.655611
H -2.656999 -0.986381 -0.774220
H -4.211348 -0.628751 -1.543849
H -3.563977 0.809831 2.522068
H -2.235943 -0.054266 1.714771
H -4.979398 0.641770 0.461218
H -4.451078 -0.982349 0.962469
H -0.641701 0.002754 -0.439802
H 2.961744 2.566787 0.148330
H 3.142426 -2.423952 -0.075452
H 5.201005 1.378378 0.256289
H 5.254319 -1.141056 0.139428
H 1.164845 -3.230763 -1.028193
H 1.195322 -3.134432 0.775822
H -1.382324 -2.890203 0.751883
H -2.358324 -4.528833 -0.840699
H -0.748631 -4.594406 -1.783860


