%chk=000054066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054066

0 1
 O    1.841400      0.3389000      0.7145000    
 O  -0.4709000     -0.1224000       1.884600    
 N   -1.964600      -1.255700      0.5186000    
 N   -4.332600       1.604300      -1.733500    
 C    1.684400       2.705300      0.3569000    
 C   -3.165400     -0.6978000       1.077600    
 C   -3.600500      0.5832000      0.3717000    
 C    2.206800       1.382700     -0.1857000    
 C    2.027400       3.869000     -0.5688000    
 C   0.4449000      -1.560700      0.2751000    
 C    1.653500     -0.9010000      0.1807000    
 C   -3.905600      0.3567000      -1.109900    
 C  -0.6962000     -0.9167000      0.9753000    
 C    1.466800       5.181500     -4.5100000E-02
 C   0.2501000      -2.816400     -0.2655000    
 C    2.712100      -1.522500     -0.4818000    
 C    1.308800      -3.437700     -0.9281000    
 C    2.539600      -2.790800      -1.036300    
 H    2.099600       2.879100       1.357400    
 H   0.5975000       2.635800      0.4916000    
 H   -4.491300      0.9760000      0.8777000    
 H   -2.813100       1.341500      0.4721000    
 H   -3.946900      -1.461000      0.9981000    
 H   -3.004900     -0.4933000       2.141800    
 H    1.784100       1.201300      -1.182400    
 H    3.299300       1.412600     -0.2674000    
 H    3.115400       3.955700     -0.6704000    
 H    1.622000       3.681400      -1.569900    
 H   -2.077900      -1.867900     -0.2822000    
 H   -4.694500     -0.3950000      -1.223100    
 H   -3.017600     -8.1000002E-03  -1.636200    
 H   0.3759000       5.138200      3.4899998E-02
 H    1.875000       5.415700      0.9432000    
 H    1.725300       6.001400     -0.7226000    
 H  -0.6806000      -3.366700     -0.1728000    
 H    3.679700      -1.035500     -0.5666000    
 H    1.177600      -4.428800      -1.352700    
 H    3.365000      -3.276300      -1.548900    
 H   -5.178500       1.944200      -1.277600    
 H   -4.583500       1.427500      -2.705400    


%chk=000054066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054066

0 1
O 1.128734 0.631081 -0.058215
O -0.763171 -0.383609 2.083615
N -2.109469 -1.387511 0.466150
N -5.033004 1.359068 -1.528663
C 1.719632 2.970110 -0.056312
C -3.378354 -0.968926 1.086972
C -3.983303 0.307155 0.456708
C 2.202201 1.569797 -0.439456
C 2.773916 4.056076 -0.373548
C 0.305926 -1.595185 0.236786
C 1.342857 -0.735914 -0.234816
C -4.402651 0.128586 -1.017330
C -0.874532 -1.047223 1.009877
C 2.288550 5.470934 0.008789
C 0.430467 -2.989848 0.036437
C 2.484041 -1.284542 -0.873113
C 1.564839 -3.542739 -0.602150
C 2.589809 -2.682484 -1.050457
H 1.477994 2.977475 1.023110
H 0.778196 3.187284 -0.596289
H -4.873679 0.593156 1.055609
H -3.261323 1.139534 0.530803
H -4.099394 -1.808085 1.023502
H -3.155762 -0.782047 2.151724
H 2.393290 1.496299 -1.531414
H 3.133933 1.306597 0.103855
H 3.714194 3.829476 0.169794
H 3.022133 4.030492 -1.454653
H -2.124074 -1.851201 -0.443629
H -5.052089 -0.782134 -1.094733
H -3.500192 -0.066511 -1.629383
H 1.367159 5.735713 -0.542801
H 2.060734 5.531447 1.089281
H 3.053008 6.235587 -0.220500
H -0.357633 -3.650174 0.416947
H 3.283452 -0.634051 -1.238576
H 1.649299 -4.625958 -0.735553
H 3.478168 -3.094709 -1.542120
H -5.864230 1.652153 -1.006250
H -5.182072 1.382531 -2.541098


