%chk=000114417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114417

0 1
 O   -1.711800       3.166300     -4.3200001E-02
 O    3.934800      0.8036000      0.2959000    
 N   -1.149900      0.9478000      0.4807000    
 N    1.691100      0.1281000      0.4495000    
 C   -1.622400      -1.391100     -0.1635000    
 C   -1.242400      1.6700000E-02 -0.6533000    
 C  -0.4898000      -2.036900      0.6459000    
 C   9.3300000E-02  1.7200001E-02  -1.407300    
 C    1.230700     -0.7003000     -0.6732000    
 C   0.8149000      -2.073500     -0.1490000    
 C   -2.928200      -1.394800      0.6335000    
 C   -1.431200       2.053500      0.2149000    
 C    2.811100      0.4633000      0.3692000    
 H   -1.787900      -2.014200      -1.053800    
 H   -2.028000      0.3441000      -1.352600    
 H  -0.7676000      -3.062000      0.9200000    
 H  -0.3351000      -1.493600       1.586300    
 H   0.3970000       1.040600      -1.660900    
 H  -6.5499999E-02 -0.5009000      -2.363000    
 H    2.041200     -0.8593000      -1.402100    
 H    1.608300      -2.500200      0.4765000    
 H   0.6852000      -2.753500      -1.000800    
 H   -3.737200     -0.9352000      5.6100000E-02
 H   -3.229600      -2.420600      0.8718000    
 H   -2.830100     -0.8499000       1.578200    


%chk=000114417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114417

0 1
O -0.757511 3.278988 0.700498
O 3.266963 0.948718 1.685125
N -1.288204 0.977869 0.103155
N 1.708429 0.298914 -0.072940
C -1.632306 -1.455556 -0.160135
C -1.344129 -0.102165 -0.875459
C -0.397478 -1.904580 0.658772
C -0.053479 -0.182553 -1.737346
C 1.188053 -0.719603 -0.981990
C 0.855920 -2.039591 -0.233460
C -2.908848 -1.388942 0.700105
C -0.999118 2.140539 0.330447
C 2.516556 0.553730 0.806294
H -1.791426 -2.194731 -0.975314
H -2.194742 0.112133 -1.556733
H -0.611306 -2.873435 1.148348
H -0.212935 -1.169791 1.466697
H 0.174639 0.808136 -2.170476
H -0.258024 -0.875868 -2.576135
H 1.976846 -0.926298 -1.734692
H 1.732910 -2.354037 0.362823
H 0.683882 -2.823858 -0.998541
H -3.787148 -1.085898 0.099728
H -3.128832 -2.373425 1.151916
H -2.787811 -0.653496 1.515113


