%chk=000049311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049311

0 1
 O   0.1814000     -0.1046000       2.314400    
 O   0.3678000      9.9200003E-02  -2.373200    
 O    3.412500      -2.389400     -8.2000000E-03
 N    1.854200      -1.165800       1.157800    
 N    1.947800      -1.063500      -1.183800    
 C   0.5286000      0.5468000      4.6000001E-03
 C    1.396600       1.814700      9.4499998E-02
 C  -0.9530000      0.9481000     -3.6899999E-02
 C   -1.866200     -0.2775000     -1.2400000E-02
 C   0.8003000     -0.2705000       1.263700    
 C   0.9023000     -0.1591000      -1.295000    
 C    1.207900       2.673200      -1.150500    
 C    1.054600       2.600800       1.354500    
 C   -3.341100      0.1276000     -1.9700000E-02
 C   -4.254300      -1.098000     -2.9200001E-02
 C    2.481400      -1.582400     -1.0300000E-02
 C   -5.720900     -0.6995000     -7.0200004E-02
 H    2.458900       1.540100      0.1521000    
 H   -1.202700       1.522400     -0.9353000    
 H   -1.241100       1.561100      0.8222000    
 H   -1.671100     -0.9123000     -0.8846000    
 H   -1.688300     -0.8964000      0.8728000    
 H   0.1824000       3.018600      -1.300800    
 H    1.814500       3.582800      -1.051300    
 H    1.564600       2.191700      -2.064600    
 H    1.219200       2.046100       2.280300    
 H   4.6599999E-02   3.022500       1.356700    
 H    1.727100       3.466600       1.419200    
 H   -3.560200      0.7418000      0.8621000    
 H   -3.547900      0.7443000     -0.9030000    
 H    2.147600      -1.625200       2.015400    
 H    2.310200      -1.447500      -2.052100    
 H   -4.029200      -1.724400     -0.9003000    
 H   -4.070800      -1.706300      0.8641000    
 H   -5.988100     -9.6699998E-02  0.8036000    
 H   -6.355900      -1.590900     -7.5000003E-02
 H   -5.944600     -0.1182000     -0.9704000    


%chk=000049311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049311

0 1
O 0.296359 -0.152459 2.400205
O 0.338197 0.032766 -2.376954
O 3.563088 -2.361708 -0.050927
N 1.966615 -1.154425 1.160754
N 2.008823 -1.037703 -1.194886
C 0.504660 0.543524 0.035514
C 1.435349 1.868373 0.117601
C -1.008497 0.886850 0.034127
C -1.945188 -0.340664 -0.052810
C 0.864927 -0.279703 1.285475
C 0.894916 -0.171323 -1.268675
C 1.408910 2.700831 -1.186774
C 1.064934 2.762215 1.325193
C -3.434475 0.069813 -0.010413
C -4.397045 -1.137651 -0.081073
C 2.592781 -1.564689 -0.029456
C -5.883621 -0.723558 -0.034344
H 2.473368 1.502329 0.265548
H -1.212153 1.555803 -0.821312
H -1.233294 1.437841 0.964024
H -1.750535 -0.897104 -0.990470
H -1.739680 -1.027304 0.792708
H 0.386120 3.036437 -1.432377
H 2.033536 3.601634 -1.045116
H 1.799985 2.150286 -2.058418
H 0.963446 2.192324 2.263748
H 0.117420 3.300595 1.146188
H 1.855837 3.521480 1.466102
H -3.632483 0.639840 0.921368
H -3.651176 0.759352 -0.853035
H 2.301374 -1.606311 2.018078
H 2.365156 -1.414459 -2.079455
H -4.198527 -1.706896 -1.011949
H -4.176583 -1.827141 0.759189
H -6.114670 -0.181262 0.902035
H -6.551575 -1.602783 -0.088867
H -6.135200 -0.054954 -0.879348


