%chk=000046819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046819

0 1
 O   4.3800000E-02  0.7272000     -0.1362000    
 O  -0.2831000       2.991000     -0.4042000    
 N    3.581400     -0.3073000     -0.1612000    
 C    2.128100     -0.4444000     -7.0799999E-02
 C    4.077100      0.5831000      0.8876000    
 C    4.225000      -1.617000     -6.6200003E-02
 C    1.451500      0.9098000     -0.2126000    
 C    5.578400      0.7858000      0.7716000    
 C    3.721500      -2.556100      -1.149200    
 C  -0.7146000       1.857500     -0.2472000    
 C   -2.162200       1.508800     -0.1672000    
 C   -2.647900      0.1308000      2.2600001E-02
 C   -2.922300     -0.6520000      -1.087000    
 C   -2.819000     -0.3558000       1.308500    
 C   -3.380200      -1.957000     -0.9060000    
 C   -3.276900      -1.661000       1.489500    
 C   -3.043100       2.518100     -0.2543000    
 C   -3.557400      -2.461600      0.3823000    
 H    1.724400      -1.066500     -0.8771000    
 H    1.818500     -0.9188000      0.8703000    
 H    3.663800       1.589600      0.7839000    
 H    3.825400      0.2197000       1.891700    
 H    5.304000      -1.528800     -0.2296000    
 H    4.075300      -2.077600      0.9186000    
 H    1.708900       1.370700      -1.174000    
 H    1.712200       1.591300      0.6010000    
 H    6.145700     -8.6900003E-02   1.109300    
 H    5.877800       1.030700     -0.2534000    
 H    5.886600       1.622200       1.409400    
 H    2.720100      -2.943200     -0.9369000    
 H    3.720200      -2.078600      -2.135200    
 H    4.382500      -3.428200      -1.212300    
 H   -2.786700     -0.2712000      -2.095900    
 H   -2.602500      0.2571000       2.179400    
 H   -3.598100      -2.580600      -1.768000    
 H   -3.414400      -2.054100       2.492600    
 H   -2.736000       3.550500     -0.3862000    
 H   -4.113200       2.339700     -0.1959000    
 H   -3.913600      -3.477800      0.5232000    


%chk=000046819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046819

0 1
O 0.003533 0.192570 -0.611330
O 0.230459 2.253715 0.451663
N 3.668546 -0.298886 0.198227
C 2.206308 -0.447644 0.378584
C 4.176472 1.003243 0.715167
C 4.458832 -1.472416 0.651872
C 1.481148 0.172363 -0.832855
C 5.438460 1.492861 -0.019857
C 4.336295 -2.680937 -0.295689
C -0.499578 1.306150 0.063432
C -1.998935 1.255169 0.213074
C -2.776567 0.007159 -0.046764
C -4.039803 0.084141 -0.696031
C -2.322444 -1.265072 0.396567
C -4.829174 -1.069968 -0.887762
C -3.113247 -2.418127 0.209356
C -2.598581 2.423726 0.589920
C -4.370552 -2.327557 -0.432443
H 1.945293 -1.518424 0.446620
H 1.844351 0.041198 1.312695
H 3.373850 1.752816 0.585149
H 4.375236 0.947774 1.814976
H 5.519318 -1.164022 0.690640
H 4.180411 -1.777367 1.692636
H 1.618568 -0.440242 -1.735961
H 1.830750 1.203742 -1.009474
H 6.284047 0.790415 0.095017
H 5.232013 1.602013 -1.098814
H 5.760916 2.472164 0.380512
H 3.294454 -3.043246 -0.370382
H 4.673547 -2.403756 -1.309550
H 4.955964 -3.521878 0.068027
H -4.389370 1.051487 -1.075129
H -1.349357 -1.348681 0.889447
H -5.794610 -0.989474 -1.399829
H -2.748512 -3.388516 0.564353
H -1.996883 3.322554 0.759499
H -3.679511 2.485384 0.751236
H -4.980646 -3.225329 -0.581900


