%chk=000031143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031143

0 1
 O    1.633500      -1.112400       1.739300    
 O  -0.2748000      0.2921000      -2.314800    
 O    2.359400       3.129800      0.1480000    
 N    1.914100       1.037900      0.9912000    
 N   0.9604000       1.739800      -1.033600    
 C   0.1452000     -0.3358000     -1.0600000E-02
 C   -1.129700      9.2200004E-02  0.7380000    
 C   -2.388900      5.2000000E-03 -0.1441000    
 C   6.6999998E-03  -1.799900     -0.4526000    
 C   -1.312800     -0.7772000       1.984600    
 C    1.304600     -0.2077000      0.9725000    
 C   0.2628000      0.5591000      -1.240300    
 C   -3.660100      0.4883000      0.5583000    
 C    1.280700      -2.294600      -1.052600    
 C    1.771700       2.051200      5.0799999E-02
 C   -4.859100      0.4493000     -0.3773000    
 C    1.986200      -3.317300     -0.5568000    
 H   -1.023800       1.133500       1.073600    
 H   -2.563700      -1.022200     -0.4814000    
 H   -2.274400      0.6245000      -1.038400    
 H  -0.7707000      -1.930500      -1.214000    
 H  -0.2591000      -2.464600      0.3750000    
 H   -2.106900     -0.3552000       2.612400    
 H  -0.4512000     -0.8031000       2.652100    
 H   -1.624100      -1.801200       1.760000    
 H   -3.519800       1.511800      0.9244000    
 H   -3.892600     -0.1425000       1.421800    
 H    2.596600       1.198500       1.726900    
 H   0.9398000       2.417700      -1.790500    
 H    1.644100      -1.812600      -1.956400    
 H   -4.701600       1.097300      -1.245300    
 H   -5.044200     -0.5681000     -0.7364000    
 H   -5.757700      0.7941000      0.1440000    
 H    2.900400      -3.639500      -1.043500    
 H    1.671800      -3.848300      0.3348000    


%chk=000031143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031143

0 1
O 1.696598 -1.078232 1.877127
O -0.204493 0.113188 -2.333040
O 2.246737 3.187370 0.130330
N 1.861387 1.065816 1.039621
N 0.894837 1.666605 -1.025720
C 0.149895 -0.471741 0.043438
C -1.202375 -0.009115 0.809847
C -2.453429 -0.038835 -0.112714
C 0.108084 -1.978420 -0.356981
C -1.443440 -0.841764 2.093387
C 1.301944 -0.230484 1.037524
C 0.273741 0.412732 -1.208901
C -3.699047 0.619281 0.531358
C 1.289737 -2.415716 -1.204618
C 1.696669 2.060731 0.061149
C -4.887910 0.687077 -0.451681
C 2.300917 -3.203164 -0.760478
H -1.032828 1.048227 1.108801
H -2.697195 -1.087869 -0.374600
H -2.246826 0.478569 -1.067499
H -0.826654 -2.153393 -0.918898
H 0.078766 -2.570969 0.571926
H -2.231551 -0.362973 2.699762
H -0.543133 -0.930428 2.722799
H -1.786572 -1.862664 1.846186
H -3.440012 1.644208 0.868967
H -4.005741 0.057719 1.434239
H 2.534168 1.279681 1.783094
H 0.862041 2.321977 -1.813639
H 1.289774 -2.064445 -2.246273
H -4.629934 1.279693 -1.349250
H -5.179762 -0.324226 -0.791835
H -5.772348 1.153241 0.019507
H 3.126207 -3.498634 -1.418694
H 2.334546 -3.563440 0.274861


