%chk=000116280.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116280

1 1
 O    3.761100     -0.5630000      0.6302000    
 O   -2.534700      0.5530000      0.3408000    
 O   -3.654800      -1.258500     -0.5333000    
 N    1.159400      0.3600000     -0.2178000    
 N   -4.781000      0.4425000      0.5276000    
 C    1.384500      -1.003300      0.4460000    
 C    2.291500       1.312400      0.1843000    
 C  -0.1658000      0.9365000      0.2908000    
 C    1.049100      0.2317000      -1.735900    
 C    2.793900      -1.506900      0.1763000    
 C    3.647900      0.6736000     -7.0200004E-02
 C   -1.297900      5.9000002E-03 -9.6900001E-02
 C   -3.653100     -0.1841000      5.8300000E-02
 H   0.6661000      -1.725400      4.9899999E-02
 H    1.231300     -0.8636000       1.522400    
 H    2.167200       1.511200       1.255400    
 H    2.165600       2.243700     -0.3781000    
 H  -0.1014000       1.051100       1.379600    
 H  -0.2973000       1.934700     -0.1444000    
 H    2.043500      7.2999999E-02  -2.157200    
 H   0.4353000     -0.6349000      -1.993100    
 H   0.6313000       1.158400      -2.140500    
 H    2.960100      -2.438500      0.7270000    
 H    2.960400      -1.725900     -0.8845000    
 H    3.859900      0.5198000      -1.133000    
 H    4.432200       1.335400      0.3123000    
 H   -1.378000     -0.1212000      -1.179200    
 H   -1.199700     -0.9736000      0.3784000    
 H   -4.728300       1.332400       1.011700    
 H   -5.701900      3.5000000E-02  0.4046000    


%chk=000116280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116280

1 1
O 3.843424 -0.448159 0.743166
O -2.550662 0.591056 0.394126
O -3.869035 -1.109790 -0.566803
N 1.152763 0.266334 -0.282828
N -4.820137 0.630202 0.709400
C 1.482210 -1.089709 0.394366
C 2.206932 1.312279 0.178711
C -0.225557 0.775985 0.194837
C 1.165045 0.139118 -1.804912
C 2.956178 -1.484200 0.208432
C 3.648546 0.806618 0.012575
C -1.411844 -0.106613 -0.218393
C -3.806689 -0.065706 0.118258
H 0.807170 -1.853244 -0.025587
H 1.263858 -0.955708 1.467402
H 2.001864 1.499119 1.246177
H 2.025683 2.236758 -0.396596
H -0.182093 0.846915 1.294906
H -0.353311 1.792006 -0.217280
H 2.188409 -0.051625 -2.154212
H 0.516366 -0.694831 -2.108664
H 0.794751 1.079348 -2.241806
H 3.156589 -2.391151 0.800421
H 3.201860 -1.703380 -0.851865
H 3.936955 0.689377 -1.052886
H 4.333515 1.536484 0.472454
H -1.556267 -0.162849 -1.312203
H -1.349098 -1.136668 0.177939
H -4.637761 1.474793 1.247363
H -5.773264 0.288640 0.605003


