%chk=000029548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029548

0 1
 O   -2.094600      -2.682600      0.4479000    
 O    3.809900      0.1119000     -0.1416000    
 O   -3.893400      -1.332800     -4.3800000E-02
 O    3.760600      -2.163000     -0.4913000    
 N   0.1436000      0.2067000      7.3600002E-02
 N   -3.987100      -3.608500     -0.3594000    
 N    5.631400      -1.125100      0.3515000    
 C  -0.5933000     -0.9753000     -0.3272000    
 C    1.507700      6.3400000E-02  0.5418000    
 C  -0.4637000       1.478700      2.1500001E-02
 C   -1.348100      -1.545200      0.8618000    
 C    2.474900      0.2192000     -0.6195000    
 C   0.2490000       2.609000      0.4220000    
 C   -1.777200       1.606200     -0.4303000    
 C  -0.3520000       3.866800      0.3709000    
 C   -2.378100       2.864100     -0.4813000    
 C   -1.665400       3.994300     -8.0700003E-02
 C   -3.368900      -2.440000      1.1400000E-02
 C    4.344800      -1.147800     -0.1275000    
 H   0.1116000      -1.744700     -0.6733000    
 H   -1.229900     -0.8262000      -1.206200    
 H    1.640200     -0.9430000      0.9628000    
 H    1.762700      0.7100000       1.389000    
 H   -1.990800     -0.8019000       1.348700    
 H  -0.6431000      -1.883700       1.629800    
 H    2.380400       1.211300      -1.073700    
 H    2.272600     -0.5010000      -1.422200    
 H    1.276200       2.582000      0.7672000    
 H   -2.388800      0.7707000     -0.7472000    
 H   0.2032000       4.747900      0.6792000    
 H   -3.401400       2.964300     -0.8311000    
 H   -2.133200       4.973600     -0.1208000    
 H   -4.939400      -3.614500     -0.7090000    
 H   -3.510600      -4.501800     -0.2956000    
 H    6.180700      -1.974200      0.4309000    
 H    6.072200     -0.2585000      0.6409000    


%chk=000029548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029548

0 1
O -2.195037 -2.748606 0.542160
O 3.927662 0.122473 -0.208781
O -3.799342 -1.355136 -0.489004
O 3.711345 -2.227721 -0.324790
N 0.149280 0.218536 0.167236
N -3.986556 -3.696129 -0.487465
N 5.725274 -1.179478 0.281107
C -0.576529 -1.003334 -0.213225
C 1.554715 0.066052 0.566353
C -0.465510 1.489549 0.086017
C -1.445781 -1.532792 0.952481
C 2.511718 0.248694 -0.636405
C 0.273834 2.686577 0.340723
C -1.850258 1.619019 -0.251206
C -0.346489 3.950407 0.262279
C -2.449682 2.892114 -0.332905
C -1.712633 4.071859 -0.077902
C -3.378158 -2.500338 -0.181923
C 4.402546 -1.201714 -0.099791
H 0.153491 -1.780717 -0.501164
H -1.220646 -0.814857 -1.090820
H 1.703918 -0.947998 0.977361
H 1.815808 0.783602 1.365235
H -2.158147 -0.760224 1.288794
H -0.824501 -1.871427 1.796814
H 2.442213 1.262014 -1.060757
H 2.297251 -0.506124 -1.413752
H 1.336999 2.643323 0.596678
H -2.474005 0.738136 -0.436839
H 0.250981 4.847518 0.464224
H -3.512950 2.955087 -0.592580
H -2.189237 5.055535 -0.141206
H -4.854683 -3.681324 -1.014898
H -3.573941 -4.575650 -0.186327
H 6.213504 -2.062173 0.401371
H 6.206246 -0.294452 0.422106


