%chk=000153248.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153248

0 1
 O    3.877300      -1.114000      -1.394700    
 O    3.023500       2.371500     -0.3854000    
 O   0.2213000      -3.703400      0.8996000    
 O  -0.8664000      0.7768000      -1.811400    
 O    2.175600       4.142700      0.8162000    
 N    3.448600      8.4200002E-02   2.149600    
 N    2.315600      -1.785600      0.2642000    
 N   -2.977500     -0.8193000      -1.232500    
 N    4.287400       4.223500     -8.9500003E-02
 N   -6.783300       2.302100       1.459700    
 C    3.950400     -0.1897000      0.8053000    
 C    3.066800     -0.6487000     -0.3151000    
 C    3.925700      -1.256000       1.855600    
 C    2.935800      -2.318200       1.470500    
 C    1.949800      0.2935000     -0.8711000    
 C   0.9791000      -1.682900     -3.8500000E-02
 C   0.7074000     -0.5577000     -0.6980000    
 C    1.822300       1.649100     -0.1844000    
 C  -5.1500000E-02  -2.664300      0.3086000    
 C  -0.6451000     -0.2383000      -1.158500    
 C    4.495100     -3.4699999E-02  -2.077400    
 C   -1.453600      -2.332700     -0.1123000    
 C   -1.738200      -1.204800     -0.7992000    
 C   -2.474400      -3.362300      0.2946000    
 C    3.080200       3.623600      0.1710000    
 C   -3.925200     -4.1099999E-02 -0.5621000    
 C   -5.153900      0.2580000      -1.165800    
 C   -3.660100      0.4501000      0.7231000    
 C   -6.100100       1.034200     -0.4966000    
 C   -4.606300       1.226300       1.392400    
 C   -5.826300       1.518300      0.7825000    
 H    4.896800      0.2624000      0.5569000    
 H    4.834100      -1.587400       2.330500    
 H    2.430500      9.3300000E-02   2.171300    
 H    3.447300      -3.258200       1.242100    
 H    2.213200      -2.485300       2.276100    
 H    2.058400      0.4642000      -1.946800    
 H    1.597000       1.556100      0.8825000    
 H    1.000600       2.215800     -0.6396000    
 H    4.777100      0.8130000      -1.450600    
 H    3.871100      0.3045000      -2.909000    
 H    5.415100     -0.4229000      -2.526700    
 H   -3.483900      -3.111700     -4.4799998E-02
 H   -2.507600      -3.454100       1.385300    
 H   -2.222100      -4.339200     -0.1313000    
 H   -3.100200     -0.8586000      -2.240100    
 H    5.005800       3.751700     -0.6286000    
 H    4.498500       5.155900      0.2495000    
 H   -5.382000     -0.1132000      -2.162200    
 H   -2.720400      0.2438000       1.229000    
 H   -7.047300       1.254500     -0.9824000    
 H   -4.381400       1.597900       2.388800    
 H   -6.584700       2.654800       2.386500    
 H   -7.667400       2.515700       1.017400    


%chk=000153248-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153248

0 1
O 3.846588 -1.326436 -1.393986
O 3.720131 2.400924 -0.838715
O -0.053372 -3.151681 1.201612
O -0.671397 1.556746 -1.628467
O 3.376207 4.421856 0.330089
N 3.584652 -0.036778 2.226098
N 2.232264 -1.585222 0.303593
N -2.839165 0.355294 -0.811233
N 5.326444 4.013809 -0.913600
N -8.113531 0.458469 1.283735
C 4.132088 -0.295351 0.833765
C 3.151763 -0.590320 -0.315427
C 4.002686 -1.440422 1.834736
C 2.899929 -2.395778 1.342592
C 2.197989 0.518812 -0.907186
C 0.920336 -1.229725 0.120972
C 0.811981 -0.040439 -0.598470
C 2.383383 1.942686 -0.368488
C -0.257118 -2.043190 0.576373
C -0.468311 0.477744 -0.947648
C 4.940847 -0.591724 -2.049346
C -1.581242 -1.533763 0.239471
C -1.690311 -0.307831 -0.440271
C -2.749467 -2.447524 0.549117
C 4.084832 3.694449 -0.404780
C -4.154698 0.317286 -0.267872
C -5.262141 0.543717 -1.127600
C -4.391508 0.170164 1.125134
C -6.570915 0.593917 -0.619157
C -5.698458 0.213779 1.638073
C -6.815823 0.418868 0.775516
H 5.072939 0.208205 0.609602
H 4.854973 -1.851495 2.379860
H 2.549167 0.066178 2.233777
H 3.347068 -3.304102 0.899789
H 2.170096 -2.700595 2.109175
H 2.360295 0.547174 -2.001348
H 2.354857 1.997544 0.733559
H 1.604814 2.606604 -0.780668
H 5.857106 -0.587027 -1.426997
H 4.652810 0.451281 -2.282898
H 5.139748 -1.144355 -2.980918
H -3.515547 -2.407986 -0.243877
H -3.256177 -2.204424 1.502298
H -2.371334 -3.479065 0.642280
H -2.610942 1.142906 -1.449242
H 5.823581 3.368008 -1.521225
H 5.723413 4.920660 -0.685512
H -5.091162 0.665353 -2.203324
H -3.542939 0.058724 1.806998
H -7.412314 0.762748 -1.301839
H -5.858576 0.105614 2.717551
H -8.288783 0.334886 2.276559
H -8.909256 0.614024 0.671973


