%chk=000168513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168513

0 1
 O  -0.2456000      -1.052800      -2.189700    
 O  -0.2221000      -3.716900      -1.151900    
 O  -0.1985000      -3.467900       1.707600    
 N  -5.8800001E-02  -1.172200       1.284400    
 N  -0.1637000      -2.548800     -0.4237000    
 C  -2.8300000E-02 -0.2622000      0.1320000    
 C   -1.193200      0.6692000      0.1497000    
 C    1.268200      0.4581000      3.8800001E-02
 C  -0.1717000      -1.316500     -0.9965000    
 C  -0.1505000      -2.522300      0.9337000    
 C   -1.057100       1.945700      0.6950000    
 C    1.536900       1.282800      -1.057000    
 C   -2.418700      0.2636000     -0.3788000    
 C    2.226000      0.3146000       1.046400    
 C   -2.146400       2.816800      0.7116000    
 C    2.753700       1.958900      -1.144600    
 C   -3.508100       1.134700     -0.3621000    
 C    3.443000      0.9908000      0.9587000    
 C   -3.371900       2.411300      0.1831000    
 C    3.706900       1.812900     -0.1367000    
 H  -5.5399999E-02 -0.8564000       2.250000    
 H  -0.1336000       2.293700       1.148200    
 H   0.8111000       1.414500      -1.855300    
 H   -2.578800     -0.7285000     -0.7896000    
 H    2.075400     -0.3084000       1.922100    
 H   -2.043200       3.808000       1.143300    
 H    2.959100       2.599400      -1.997300    
 H   -4.464200      0.8172000     -0.7677000    
 H    4.185400      0.8782000       1.743500    
 H   -4.220900       3.088400      0.1991000    
 H    4.654200       2.339600     -0.2048000    
 H   -1.183400      -3.836800      -1.234200    


%chk=000168513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168513

0 1
O -0.084422 -1.090096 -2.277259
O -0.258980 -3.802540 -1.016037
O -0.416258 -3.460691 1.772212
N -0.155283 -1.105188 1.332119
N -0.207420 -2.528478 -0.383382
C -0.056791 -0.244111 0.117295
C -1.255860 0.726860 0.078607
C 1.303652 0.475753 0.022311
C -0.119820 -1.310513 -1.048846
C -0.274847 -2.444317 1.041917
C -1.216958 1.888626 0.892824
C 1.497861 1.438661 -1.000641
C -2.421688 0.451764 -0.676175
C 2.375280 0.156145 0.888912
C -2.331095 2.751418 0.963361
C 2.745087 2.081815 -1.141687
C -3.533990 1.320707 -0.610404
C 3.622696 0.806870 0.749372
C -3.495801 2.468747 0.212161
C 3.811417 1.772197 -0.264503
H -0.332026 -0.732024 2.263728
H -0.307367 2.127995 1.456697
H 0.677784 1.672338 -1.687482
H -2.462004 -0.422903 -1.333369
H 2.239372 -0.602182 1.667069
H -2.288777 3.644660 1.596212
H 2.886775 2.820792 -1.937846
H -4.427755 1.102408 -1.204938
H 4.444738 0.555119 1.428538
H -4.359947 3.140260 0.261943
H 4.779089 2.274050 -0.374543
H -0.370862 -4.425443 -0.230869


