%chk=000049083.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049083

0 1
 O   0.9663000       1.241400      0.1864000    
 O   0.2110000       2.856500      -1.269700    
 O   -5.078000     -0.3360000      0.3525000    
 N    3.380900      -1.367400     -0.2357000    
 C    3.277200      0.8841000      0.9061000    
 C    2.893200     -0.6205000      0.9208000    
 C    2.299300       1.716600      4.6399999E-02
 C    4.705000       1.082900      0.3633000    
 C    3.237500       1.393600       2.362300    
 C    3.521000      -2.786500      9.1700003E-02
 C    2.479800      -1.194000      -1.375500    
 C    2.179400      -3.402000      0.4516000    
 C    3.006300      -1.913400      -2.605800    
 C   1.7100001E-02   1.904400     -0.5299000    
 C   -1.325400       1.314600     -0.2965000    
 C   -2.442900       1.849400     -0.9376000    
 C   -1.469200      0.2256000      0.5632000    
 C   -3.704100       1.295200     -0.7190000    
 C   -2.730300     -0.3286000      0.7818000    
 C   -3.847800      0.2061000      0.1408000    
 C   -5.130700      -1.730400      0.6502000    
 C   -6.445600      -2.291600      0.1525000    
 H    1.820600     -0.7583000       1.098700    
 H    3.378800      -1.041200       1.813900    
 H    2.585900       1.716800      -1.010200    
 H    2.333800       2.766600      0.3672000    
 H    4.789700      0.8160000     -0.6956000    
 H    5.011300       2.131900      0.4527000    
 H    5.428800      0.4805000      0.9239000    
 H    2.240000       1.263800       2.796900    
 H    3.952900      0.8562000       2.995200    
 H    3.488700       2.459000       2.417800    
 H    3.998700      -3.349100     -0.7173000    
 H    4.209100      -2.900500      0.9396000    
 H    1.440200      -1.475800      -1.174800    
 H    2.452500     -0.1481000      -1.673100    
 H    2.346500      -4.442200      0.7571000    
 H    1.482300      -3.447900     -0.3895000    
 H    1.685800      -2.917400       1.298500    
 H    2.453000      -1.579900      -3.491100    
 H    2.876100      -2.998100      -2.546600    
 H    4.064700      -1.692400      -2.782700    
 H   -2.352100       2.697300      -1.611300    
 H  -0.6283000     -0.2180000       1.087900    
 H   -4.571100       1.715400      -1.221500    
 H   -2.802800      -1.157800       1.479500    
 H   -5.054600      -1.870200       1.734000    
 H   -4.326700      -2.285400      0.1505000    
 H   -7.288300      -1.771100      0.6195000    
 H   -6.542400      -2.146900     -0.9286000    
 H   -6.524700      -3.359700      0.3742000    


%chk=000049083-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049083

0 1
O 0.847523 0.926173 0.054617
O 0.240149 2.722273 -1.307612
O -5.512657 0.009530 -0.108167
N 3.468915 -1.410469 -0.357156
C 3.077447 0.673555 1.077817
C 3.004704 -0.886061 0.950514
C 2.276519 1.345129 -0.052498
C 4.545195 1.145907 0.922386
C 2.521442 1.088267 2.462253
C 4.718100 -2.209087 -0.304165
C 2.386830 -1.967842 -1.208976
C 4.588701 -3.641445 0.285022
C 2.793378 -2.116891 -2.687322
C -0.086636 1.713465 -0.630414
C -1.475832 1.214430 -0.455340
C -2.531658 1.919657 -1.097946
C -1.784134 0.071763 0.324122
C -3.860068 1.494256 -0.963198
C -3.115622 -0.366939 0.467454
C -4.159279 0.348055 -0.178609
C -5.897917 -1.171937 0.694771
C -7.415391 -1.295487 0.594694
H 1.956904 -1.197542 1.141746
H 3.614456 -1.312775 1.775003
H 2.656907 1.019155 -1.037857
H 2.323015 2.447713 0.007563
H 4.956560 0.811167 -0.047002
H 4.620662 2.248597 0.973944
H 5.172843 0.728099 1.732030
H 1.459632 0.801863 2.567239
H 3.094939 0.602933 3.274807
H 2.594597 2.182801 2.605294
H 5.137256 -2.274952 -1.326114
H 5.452899 -1.636686 0.292068
H 2.017164 -2.954160 -0.829342
H 1.531850 -1.270762 -1.143482
H 5.580361 -4.130002 0.325745
H 3.926152 -4.275653 -0.331631
H 4.178852 -3.617488 1.312013
H 1.920973 -2.429101 -3.290295
H 3.584310 -2.875817 -2.828668
H 3.164923 -1.154165 -3.082303
H -2.281585 2.800664 -1.697831
H -0.971816 -0.469488 0.817391
H -4.683858 2.024965 -1.449441
H -3.327980 -1.251116 1.074907
H -5.572576 -1.022956 1.744582
H -5.391075 -2.071169 0.288979
H -7.906851 -0.390513 0.990266
H -7.727077 -1.429218 -0.455047
H -7.763748 -2.167194 1.177886


