%chk=000103150.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103150

0 1
 O    3.850300       3.435300     -0.7167000    
 O    4.753700      -2.888100     -0.9670000    
 N    2.983500      3.2499999E-02  0.4883000    
 C    1.114900      5.7999998E-02   2.113800    
 C    2.533300     -0.4225000       1.798300    
 C   7.3399998E-02 -0.4561000       1.113800    
 C   -1.339600      6.9899999E-02   1.388800    
 C   -2.364800     -0.3788000      0.3445000    
 C    3.382700       1.440100      0.5407000    
 C    4.094000     -0.7925000      9.6000005E-03
 C   -3.780800      0.1360000      0.6247000    
 C   -4.857500     -0.2986000     -0.3745000    
 C    3.431100       2.077500     -0.8501000    
 C    3.615800      -2.136100     -0.5462000    
 C   -6.259400      0.1976000     -1.4200000E-02
 C   -7.304700     -0.3390000     -0.9929000    
 C    2.080100       2.079400      -1.554300    
 C    2.689700      -1.991000      -1.746900    
 C   -8.695800      0.1765000     -0.6597000    
 H    1.067000       1.150800       2.167200    
 H   0.8451000     -0.3017000       3.115100    
 H    2.510800      -1.516300       1.859800    
 H    3.219600     -9.3599997E-02   2.590100    
 H   6.2600002E-02  -1.552800       1.128900    
 H   0.3546000     -0.1548000      9.8600000E-02
 H   -1.316700       1.166300       1.417400    
 H   -1.660600     -0.2668000       2.382100    
 H   -2.048500     -3.2699998E-02 -0.6471000    
 H   -2.384100      -1.474800      0.3062000    
 H    2.686300       2.039700       1.138800    
 H    4.353500       1.561900       1.041500    
 H    4.657700     -0.3047000     -0.7939000    
 H    4.838100     -0.9584000      0.8016000    
 H   -4.079500     -0.1976000       1.626800    
 H   -3.756700       1.232600      0.6591000    
 H   -4.587000      6.4599998E-02  -1.373500    
 H   -4.864900      -1.394400     -0.4279000    
 H    4.171800       1.590000      -1.490300    
 H    3.118600      -2.730700      0.2262000    
 H   -6.270700       1.294100     -2.0000000E-02
 H   -6.512800     -0.1232000       1.003500    
 H   -7.310900      -1.434800     -0.9682000    
 H   -7.046400     -3.8600001E-02  -2.015100    
 H    2.144600       2.614300      -2.508400    
 H    1.724800       1.065700      -1.757500    
 H    1.326800       2.601500     -0.9540000    
 H    2.440500      -2.974300      -2.161000    
 H    1.755600      -1.488600      -1.482900    
 H    3.176700      -1.428100      -2.551000    
 H    3.915800       3.813900      -1.610000    
 H    4.437800      -3.754500      -1.275900    
 H   -8.731500       1.269500     -0.7090000    
 H   -9.427300     -0.2197000      -1.371000    
 H   -8.997900     -0.1325000      0.3461000    


%chk=000103150-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103150

0 1
O 4.324466 3.285698 -0.781991
O 4.443134 -3.162199 -0.921819
N 3.134910 0.009177 0.551706
C 1.140265 0.183459 2.107928
C 2.563288 -0.371431 1.874062
C 0.070867 -0.464722 1.202525
C -1.326543 0.176031 1.354001
C -2.406748 -0.494621 0.475504
C 3.664702 1.395638 0.522598
C 4.092020 -0.994392 0.020811
C -3.801954 0.154558 0.618510
C -4.886173 -0.520985 -0.251299
C 3.490383 2.063996 -0.855731
C 3.382977 -2.148369 -0.717169
C -6.280311 0.130518 -0.107456
C -7.366905 -0.547502 -0.973170
C 2.026425 2.397347 -1.180286
C 2.750081 -1.711924 -2.046572
C -8.755374 0.111540 -0.823311
H 1.140102 1.281374 1.950821
H 0.872205 0.022113 3.172863
H 2.521361 -1.476541 1.921243
H 3.234558 -0.046199 2.706974
H 0.004286 -1.549038 1.435003
H 0.405445 -0.389639 0.148536
H -1.262616 1.254546 1.097069
H -1.641090 0.129582 2.418134
H -2.090828 -0.454423 -0.588242
H -2.475317 -1.571272 0.738063
H 3.124706 2.007046 1.268261
H 4.745832 1.440981 0.789897
H 4.779913 -0.503799 -0.692231
H 4.725104 -1.439024 0.823383
H -4.113711 0.120001 1.683615
H -3.734383 1.229826 0.350313
H -4.574918 -0.487952 -1.316668
H -4.954989 -1.595843 0.018524
H 3.897757 1.387279 -1.638922
H 2.593787 -2.569594 -0.056157
H -6.213657 1.204673 -0.380547
H -6.591410 0.100448 0.958020
H -7.433719 -1.620292 -0.698872
H -7.055147 -0.518175 -2.037406
H 1.915294 2.791588 -2.208961
H 1.409775 1.485336 -1.090451
H 1.641261 3.154305 -0.472028
H 2.173105 -2.533468 -2.513429
H 2.062295 -0.866954 -1.865661
H 3.533780 -1.387641 -2.756355
H 4.166070 3.828822 -1.595017
H 4.087077 -3.882741 -1.500732
H -8.721726 1.177032 -1.119911
H -9.513915 -0.390462 -1.451927
H -9.103099 0.067686 0.226252


