%chk=000155639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155639

0 1
 O  -0.8252000      -2.181600     -4.6200000E-02
 O   -3.491000     -0.3692000      -1.399800    
 N   0.7591000     -0.5022000      0.2629000    
 N  -5.7799999E-02   1.808600      0.3788000    
 N   -3.729000     -0.5650000      0.8886000    
 C    1.114700      0.9357000      0.3117000    
 C    1.896100      -1.442400      0.2472000    
 C    1.983900       1.276500     -0.9070000    
 C    2.835000      -1.102700     -0.9208000    
 C    3.220100      0.3766000     -0.9630000    
 C  -0.5345000     -0.9901000      6.1500002E-02
 C    2.618500      -1.489000       1.594500    
 C   -1.317900       1.313500      0.1420000    
 C   -1.617800      2.4200000E-02 -2.6000001E-02
 C   0.1681000       3.224900      0.6407000    
 C   -3.022400     -0.3178000     -0.2649000    
 H    1.693500       1.083900       1.230700    
 H    1.514800      -2.454800      6.7500003E-02
 H    2.305600       2.323800     -0.8774000    
 H    1.402100       1.150700      -1.829600    
 H    2.325100      -1.349300      -1.861600    
 H    3.738000      -1.722800     -0.8807000    
 H    3.884000      0.6123000     -0.1230000    
 H    3.784100      0.5833000      -1.879500    
 H    3.101700     -0.5403000       1.845700    
 H    1.914100      -1.724300       2.399600    
 H    3.393600      -2.262700       1.586800    
 H   -2.082400       2.083700      0.1110000    
 H  -0.6085000       3.628800       1.299500    
 H   0.1557000       3.788700     -0.2978000    
 H    1.132100       3.393900       1.132400    
 H   -4.712600     -0.8121000      0.8537000    
 H   -3.306600     -0.5136000       1.810400    


%chk=000155639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155639

0 1
O -0.856707 -2.067346 0.310529
O -3.929613 0.931486 -0.099762
N 0.715338 -0.360184 0.548744
N 0.038410 1.984649 0.477697
N -3.452238 -1.353303 -0.056853
C 1.154966 1.030103 0.286147
C 1.821076 -1.366837 0.549325
C 1.807415 1.123895 -1.123445
C 2.558759 -1.301576 -0.818943
C 2.998358 0.135488 -1.195312
C -0.601533 -0.805095 0.326862
C 2.751020 -1.198870 1.770620
C -1.253609 1.569494 0.333589
C -1.624817 0.241174 0.189266
C 0.395429 3.380762 0.760480
C -3.086863 -0.025974 -0.000502
H 1.932760 1.288353 1.036992
H 1.307763 -2.340611 0.628936
H 2.152774 2.157619 -1.317145
H 1.044001 0.872018 -1.884420
H 1.871745 -1.686801 -1.597114
H 3.436611 -1.975169 -0.795344
H 3.802678 0.479757 -0.513289
H 3.430434 0.141218 -2.213143
H 3.341825 -0.264588 1.745698
H 2.162370 -1.211404 2.704230
H 3.467618 -2.039092 1.805011
H -2.046908 2.326142 0.340800
H -0.522305 3.983273 0.846892
H 1.020064 3.812078 -0.044545
H 0.953490 3.455640 1.714086
H -4.437646 -1.577435 -0.181319
H -2.718467 -2.069664 0.053132


