%chk=000148714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148714

0 1
 O   -1.024200     -0.9950000       2.186300    
 O   -1.936500      -3.179900      -1.750100    
 O    4.964800      0.6308000     -0.3533000    
 N   -1.014900      -1.094100      -1.283300    
 N   -1.587900      -2.397100      0.4232000    
 C  -0.6449000     -0.2725000     -0.1336000    
 C   0.8666000     -2.8999999E-02 -0.1926000    
 C   -1.094400      -1.239900      0.9866000    
 C   -1.462300       1.020400     -2.1500001E-02
 C   -1.559700      -2.332600     -0.9510000    
 C    1.413300      0.7364000      -1.224800    
 C    1.702500     -0.5720000      0.7856000    
 C   -1.275400       1.875900       1.066800    
 C   -2.396200       1.347700      -1.007400    
 C   -2.091200      -3.518900       1.190800    
 C    2.789400      0.9578000      -1.278500    
 C    3.078700     -0.3505000      0.7319000    
 C   -2.018600       3.051900       1.168900    
 C   -3.139200       2.523800     -0.9053000    
 C    3.622200      0.4146000     -0.3002000    
 C   -2.950300       3.375900      0.1829000    
 C    5.758100      4.6200000E-02  0.6787000    
 H  -0.8759000     -0.8037000      -2.246900    
 H   0.7808000       1.166100      -1.997000    
 H    1.334100      -1.183100       1.601400    
 H  -0.5506000       1.646300       1.843000    
 H   -2.575200      0.7149000      -1.871000    
 H   -2.355000      -4.352800      0.5363000    
 H   -2.971900      -3.188900       1.749300    
 H   -1.325500      -3.827500       1.908300    
 H    3.207100       1.554100      -2.085200    
 H    3.668200     -0.8036000       1.521600    
 H   -1.870500       3.716200       2.015300    
 H   -3.864800       2.776900      -1.672900    
 H   -3.528500       4.291800      0.2621000    
 H    5.502100      0.4538000       1.662600    
 H    6.799500      0.3203000      0.4803000    
 H    5.705300      -1.047600      0.6558000    


%chk=000148714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148714

0 1
O -1.061723 -0.930498 2.293315
O -1.868556 -3.309442 -1.681417
O 5.048767 0.777786 -0.249084
N -0.938035 -1.155357 -1.272435
N -1.668544 -2.337763 0.497115
C -0.629126 -0.279845 -0.114758
C 0.882017 0.009497 -0.045988
C -1.124227 -1.187242 1.066934
C -1.486408 1.006369 -0.105378
C -1.524144 -2.362549 -0.933730
C 1.425889 1.056198 -0.839511
C 1.768637 -0.794671 0.705087
C -1.252919 1.984236 0.895315
C -2.532680 1.203542 -1.036689
C -2.292085 -3.427711 1.249712
C 2.810568 1.283763 -0.888966
C 3.163575 -0.574870 0.672926
C -2.048981 3.147276 0.951334
C -3.324974 2.373611 -0.983680
C 3.688106 0.465598 -0.132636
C -3.085575 3.349485 0.009007
C 6.000172 -0.033456 0.516101
H -0.592153 -0.976655 -2.213521
H 0.756236 1.708391 -1.411807
H 1.378448 -1.594334 1.343378
H -0.457357 1.823963 1.630415
H -2.732288 0.441291 -1.797039
H -2.579872 -4.208274 0.527432
H -3.185203 -3.064299 1.785771
H -1.584156 -3.841990 1.987402
H 3.236325 2.087669 -1.496670
H 3.820326 -1.209283 1.275154
H -1.862991 3.894511 1.730713
H -4.129183 2.518108 -1.713805
H -3.700891 4.255112 0.052165
H 5.816847 0.052172 1.604671
H 6.989467 0.380390 0.272874
H 5.955793 -1.097626 0.213394


