%chk=000063750.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063750

0 1
 O    6.235300       1.428900     -0.7417000    
 O    2.249500     -0.4361000       1.619800    
 O   -3.422300      -1.814400     -0.3772000    
 N    3.577500       1.350400      0.2737000    
 N   0.4299000     -0.4329000      0.1348000    
 N   -1.975800      2.3600001E-02 -0.2662000    
 C    2.125700       1.372800      0.1076000    
 C    4.165500      0.2024000     -0.4304000    
 C    4.177600       2.600500     -0.2125000    
 C  -0.5889000      0.4428000     -0.4551000    
 C    1.616400      7.4299999E-02  0.6926000    
 C   0.1608000      -1.835800      4.3800000E-02
 C    5.681100      0.2071000     -0.2523000    
 C    5.693200       2.548800     -4.0800001E-02
 C   -1.146800      -2.282500     -0.2037000    
 C   -2.292500      -1.339500     -0.2836000    
 C   -3.002800       1.038100     -0.2489000    
 C    1.179600      -2.800000      0.1470000    
 C   -1.417900      -3.657500     -0.3234000    
 C   -3.504800       1.521300      0.9569000    
 C   -3.486900       1.528900      -1.459100    
 C   0.9037000      -4.164500      2.6300000E-02
 C  -0.3948000      -4.593600     -0.2071000    
 C   -4.497200       2.501600      0.9524000    
 C   -3.001900       1.010700       2.268200    
 C   -4.479100       2.509200      -1.463400    
 C   -4.984300       2.995500     -0.2577000    
 H    1.680400       2.196400      0.6766000    
 H    1.844200       1.466700     -0.9469000    
 H    3.932100      0.2630000      -1.502200    
 H    3.814900     -0.7691000     -7.5700000E-02
 H    3.784400       3.454600      0.3505000    
 H    3.935800       2.751600      -1.272700    
 H  -0.3965000      0.4859000      -1.534500    
 H  -0.4744000       1.452400     -4.5400001E-02
 H    5.966400      6.8800002E-02  0.7977000    
 H    6.126600     -0.6112000     -0.8272000    
 H    6.146600       3.453600     -0.4580000    
 H    5.978800       2.491900       1.016700    
 H    2.216000      -2.515300      0.3007000    
 H   -2.425800      -4.022400     -0.5047000    
 H   -3.100900       1.156500      -2.404400    
 H    1.709300      -4.888500      0.1088000    
 H  -0.6115000      -5.653300     -0.3016000    
 H   -4.902400       2.891400       1.882400    
 H   -1.919900       1.158700       2.349600    
 H   -3.463800       1.532600       3.113300    
 H   -3.230400     -5.4499999E-02   2.376800    
 H   -4.858600       2.893700      -2.405600    
 H   -5.757000       3.758700     -0.2613000    


%chk=000063750-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063750

0 1
O 5.828165 2.724446 -0.127513
O 2.546680 -1.306780 0.509841
O -3.517781 -1.518659 0.624058
N 3.268277 1.361336 -0.027097
N 0.443007 -1.120726 -0.487549
N -1.812082 -0.228403 -0.349250
C 1.974123 0.868674 -0.503965
C 4.435718 0.749246 -0.715878
C 3.350185 2.844968 -0.065347
C -0.595383 -0.339861 -1.188214
C 1.701114 -0.601381 -0.103389
C -0.012548 -2.443988 -0.153842
C 5.737975 1.253448 -0.077094
C 4.672038 3.306892 0.570700
C -1.418410 -2.607674 0.050726
C -2.354820 -1.436686 0.126887
C -2.500094 1.037933 -0.255885
C 0.849788 -3.563005 -0.053789
C -1.940382 -3.896654 0.317367
C -2.889820 1.570110 1.009803
C -2.739326 1.764157 -1.450506
C 0.306513 -4.837395 0.211736
C -1.087525 -5.013283 0.390197
C -3.533507 2.834553 1.016935
C -2.629571 0.840406 2.309414
C -3.365819 3.026253 -1.412500
C -3.771546 3.561823 -0.169378
H 1.184397 1.506274 -0.059602
H 1.868455 0.956951 -1.620701
H 4.435931 1.005853 -1.806406
H 4.376912 -0.345804 -0.603624
H 2.502133 3.270289 0.505400
H 3.296165 3.237315 -1.112983
H -0.831170 -0.865510 -2.136013
H -0.242407 0.669700 -1.424474
H 5.786396 0.911281 0.978135
H 6.618193 0.885916 -0.629395
H 4.791935 4.399677 0.485386
H 4.689259 3.009243 1.641085
H 1.925026 -3.431616 -0.174879
H -3.018033 -3.981455 0.490480
H -2.463504 1.321518 -2.415066
H 0.979588 -5.699364 0.276318
H -1.496562 -6.007820 0.594801
H -3.841534 3.256596 1.980824
H -1.618880 0.392426 2.331853
H -2.728314 1.521695 3.171203
H -3.346538 0.007398 2.429915
H -3.551097 3.574431 -2.342307
H -4.267221 4.537554 -0.123519


