%chk=000021131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021131

0 1
 O    3.043600       1.716500     -0.5455000    
 O    5.312800      0.9314000       1.491400    
 O   -2.970000     -0.5329000      6.3800000E-02
 O   -6.404800      9.7499996E-02  0.2490000    
 O   -5.258600      -1.773100      0.3273000    
 N    3.778200     -0.5198000     -0.4033000    
 N    1.578900     -0.1039000     -0.2878000    
 N   0.4206000      0.5694000     -0.2645000    
 N   -5.294600     -0.5115000      0.2232000    
 C    3.156800      -1.823500     -0.2552000    
 C    1.662100      -1.532600     -0.1644000    
 C    5.211000     -0.3614000     -0.5185000    
 C    2.827100      0.5176000     -0.4273000    
 C    5.847800     -0.2217000      0.8549000    
 C  -0.6182000     -0.1902000     -0.1279000    
 C   -1.966500      0.3509000     -8.0600001E-02
 C   -2.404900       1.631100     -0.1591000    
 C   -4.107800      0.2096000      7.9200000E-02
 C   -3.813800       1.546700     -5.4600000E-02
 H    3.534200      -2.308500      0.6502000    
 H    3.399300      -2.439500      -1.126800    
 H    1.137600      -2.029600     -0.9876000    
 H    1.276800      -1.862700      0.8064000    
 H    5.397100      0.5503000      -1.097100    
 H    5.623200      -1.215400      -1.064600    
 H    6.931100     -9.9200003E-02  0.7618000    
 H    5.638800      -1.094000       1.482200    
 H  -0.6116000      -1.288700     -3.3599999E-02
 H    5.739300      0.9996000       2.362600    
 H   -1.809700       2.525400     -0.2761000    
 H   -4.521400       2.363600     -7.5000003E-02


%chk=000021131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021131

0 1
O 2.764649 1.736089 -0.835235
O 5.380243 0.095759 1.844221
O -3.162886 -0.561097 0.142040
O -6.585476 0.514783 0.131000
O -5.662166 -1.561273 0.519184
N 3.780732 -0.376221 -0.446400
N 1.538722 -0.246427 -0.228662
N 0.323933 0.340063 -0.283959
N -5.573159 -0.298626 0.240789
C 3.394466 -1.706973 0.054802
C 1.837894 -1.673497 0.036921
C 5.167993 0.071043 -0.568397
C 2.722900 0.523480 -0.535581
C 6.049975 -0.350361 0.617318
C -0.762369 -0.388557 -0.051806
C -2.044521 0.264402 -0.110324
C -2.476535 1.577488 -0.368638
C -4.282946 0.274567 0.032800
C -3.900866 1.580844 -0.276488
H 3.778121 -1.852869 1.081870
H 3.789911 -2.511230 -0.592090
H 1.409550 -2.309189 -0.762390
H 1.407926 -1.990885 1.004516
H 5.132911 1.171877 -0.645618
H 5.627407 -0.325243 -1.498201
H 7.043552 0.126172 0.486092
H 6.195553 -1.452874 0.629728
H -0.770881 -1.464007 0.185957
H 6.009205 0.063555 2.606981
H -1.818681 2.413253 -0.593412
H -4.580756 2.417355 -0.414518


