%chk=000073002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073002

0 1
 O   -2.664600       1.528300      0.2445000    
 O  -0.1840000      -2.576200      0.7309000    
 O   -4.291500      0.5530000      -1.055100    
 O   0.4692000     -0.3058000      -2.709400    
 O   -1.137200      -1.066800       2.192600    
 N  -0.7111000      0.1671000     -0.7697000    
 N    5.279400       1.640200      0.9962000    
 C   -2.009800     -0.2138000      -1.264000    
 C   -2.280400      -1.706300      -1.039700    
 C   -2.458900      -2.101200      0.4303000    
 C   -3.123400      0.6535000     -0.6938000    
 C   0.4367000      8.7700002E-02  -1.546400    
 C   -1.210000      -1.831200       1.240300    
 C    1.702000      0.4928000     -0.8817000    
 C   -3.650600       2.381800      0.8344000    
 C    1.675500       1.411100      0.1680000    
 C    2.916800     -4.4700000E-02  -1.307400    
 C    1.075500      -2.425600       1.393800    
 C    2.863400       1.791800      0.7919000    
 C    4.104800      0.3360000     -0.6836000    
 C    4.078100       1.254200      0.3661000    
 C   -2.979200       3.284300       1.847400    
 C    2.099100      -3.310100      0.7145000    
 H   -2.009900     -2.0600000E-02  -2.344500    
 H   -1.474600      -2.298600      -1.491200    
 H   -3.200900      -1.981900      -1.570100    
 H   -2.696200      -3.167800      0.5144000    
 H   -3.292300      -1.556500      0.8869000    
 H  -0.6577000      0.4654000      0.1981000    
 H   -4.122700       2.988300      5.3599998E-02
 H   -4.412000       1.770200       1.331000    
 H   0.7567000       1.878000      0.5100000    
 H    2.957500     -0.7657000      -2.119600    
 H   0.9702000      -2.727400       2.441900    
 H    1.394700      -1.380800       1.355300    
 H    2.830700       2.513400       1.604200    
 H    5.044800     -9.1100000E-02  -1.023400    
 H   -2.486400       2.690700       2.624500    
 H   -2.201500       3.888700       1.368900    
 H   -3.705600       3.951700       2.319300    
 H    1.789900      -4.359700      0.7579000    
 H    2.191200      -3.050800     -0.3452000    
 H    3.078900      -3.210600       1.189800    
 H    5.260500       2.304300       1.758700    
 H    6.160200       1.249200      0.6894000    


%chk=000073002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073002

0 1
O -2.765751 1.676393 0.066025
O -0.193789 -2.878857 0.935414
O -4.329179 0.527146 -1.222959
O 0.472948 -0.555039 -2.531627
O -0.707648 -1.017638 2.241291
N -0.706005 0.242693 -0.699661
N 5.405671 1.942081 0.868699
C -1.984828 -0.222268 -1.239563
C -2.309380 -1.700385 -0.856949
C -2.386843 -1.957810 0.672012
C -3.150564 0.680886 -0.830806
C 0.476978 0.031174 -1.396410
C -1.039757 -1.864144 1.373588
C 1.732150 0.532702 -0.753330
C -3.844539 2.598472 0.546836
C 1.837005 0.872754 0.624350
C 2.891033 0.653995 -1.565792
C 1.194579 -2.896027 1.496157
C 3.049537 1.335213 1.164412
C 4.105003 1.120188 -1.040173
C 4.204928 1.476451 0.338949
C -3.195722 3.550741 1.545091
C 1.948689 -3.996214 0.757218
H -1.910874 -0.194950 -2.345345
H -1.532037 -2.343543 -1.303522
H -3.279991 -1.961841 -1.315920
H -2.778393 -2.980414 0.824642
H -3.077757 -1.251093 1.163235
H -0.733398 0.833793 0.132162
H -4.262694 3.118991 -0.333155
H -4.644054 1.984466 0.998717
H 0.986438 0.738440 1.304086
H 2.807391 0.368821 -2.619881
H 1.122391 -3.082466 2.583413
H 1.643876 -1.899884 1.339606
H 3.111577 1.580954 2.231578
H 4.984838 1.213593 -1.688638
H -2.768613 2.995980 2.397851
H -2.390558 4.134971 1.067924
H -3.953238 4.255785 1.933241
H 1.467069 -4.977829 0.906846
H 1.984191 -3.783746 -0.324713
H 2.986176 -4.055329 1.134037
H 5.478359 2.202205 1.848010
H 6.230085 2.039090 0.283053


