%chk=000048562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048562

0 1
 O    1.098400     -0.8799000       2.040100    
 O    1.025400       1.232800      -2.152900    
 O    4.524100       1.884400      0.7437000    
 N    2.856000      0.4230000       1.350000    
 N    2.819100       1.478900     -0.7443000    
 C    1.230600     -0.3424000     -0.3208000    
 C  -0.2951000     -0.5068000     -0.3771000    
 C    1.898700      -1.576000     -0.9542000    
 C  -0.9936000      0.6835000      0.2685000    
 C    1.684200     -0.2868000       1.134600    
 C    1.644100      0.8666000      -1.154100    
 C   -2.492100      0.5334000      0.2088000    
 C    1.434300      -2.829200     -0.2899000    
 C    3.481900       1.290100      0.4626000    
 C   -3.184300       1.034400     -0.8839000    
 C   -3.155500     -0.1038000       1.247000    
 C   0.7874000      -3.811100     -0.9277000    
 C   -4.571100      0.8953000     -0.9395000    
 C   -4.542300     -0.2429000       1.191200    
 C   -5.250100      0.2566000      9.7900003E-02
 H  -0.6292000      -1.411000      0.1469000    
 H  -0.6317000     -0.6167000      -1.417200    
 H    2.991200      -1.520400     -0.8596000    
 H    1.691400      -1.607600      -2.032400    
 H  -0.7193000       1.625500     -0.2211000    
 H  -0.7010000      0.8092000       1.317500    
 H    3.257200      0.3649000       2.281900    
 H    3.193200       2.199000      -1.356100    
 H    1.691900      -2.993900      0.7524000    
 H   -2.664400       1.531200      -1.698100    
 H   -2.613100     -0.4983000       2.101600    
 H   0.5044000      -4.715500     -0.4003000    
 H   0.5270000      -3.731700      -1.977300    
 H   -5.122100       1.283600      -1.791100    
 H   -5.071100     -0.7408000       1.998800    
 H   -6.329900      0.1479000      5.4400001E-02


%chk=000048562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048562

0 1
O 1.283988 -1.006112 2.091356
O 1.224105 1.041714 -2.298178
O 4.452325 2.154819 0.853753
N 2.891684 0.501540 1.403863
N 2.835648 1.535887 -0.718928
C 1.258306 -0.376940 -0.289838
C -0.292958 -0.461775 -0.312714
C 1.886001 -1.683358 -0.965111
C -1.002229 0.782229 0.286738
C 1.772339 -0.319889 1.156349
C 1.734362 0.786972 -1.177278
C -2.516144 0.627210 0.237103
C 1.421377 -2.988296 -0.355674
C 3.469552 1.443245 0.533391
C -3.254625 1.077013 -0.887583
C -3.212370 -0.011734 1.295432
C 0.852484 -3.990043 -1.071568
C -4.654738 0.895104 -0.953636
C -4.612217 -0.195501 1.233548
C -5.338594 0.257402 0.107520
H -0.594609 -1.363511 0.246955
H -0.609337 -0.594858 -1.362912
H 2.991830 -1.608944 -0.899331
H 1.613921 -1.645315 -2.035766
H -0.700726 1.684822 -0.279017
H -0.675132 0.915542 1.336068
H 3.292691 0.466542 2.347202
H 3.205210 2.254367 -1.350581
H 1.583279 -3.116491 0.723132
H -2.729112 1.574814 -1.712336
H -2.653790 -0.362909 2.172262
H 0.560113 -4.933920 -0.598406
H 0.663451 -3.897445 -2.148521
H -5.211279 1.252300 -1.827715
H -5.135688 -0.687205 2.061538
H -6.424519 0.118224 0.059185


