%chk=000174432.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174432

0 1
 O    4.314100      0.5164000       2.157200    
 O    4.674300     -0.7465000     -0.3726000    
 O    4.032800       3.145400       1.218900    
 O    3.594200       3.619200      -1.491200    
 O   0.6286000      -3.709500      -1.143500    
 O   0.8369000       3.076800      -1.609000    
 N    2.369500      -2.724800      3.0600000E-02
 C    3.450800      0.7835000       1.053500    
 C    3.379300     -0.4708000      0.1564000    
 C    3.955700       2.045500      0.3140000    
 C    2.898600      -1.702100      0.9299000    
 C   -2.279800     -0.8791000      0.2089000    
 C   -3.732700      -1.029200     -0.2510000    
 C    3.054300       2.453700     -0.8717000    
 C   -1.354700      -1.972500     -0.3293000    
 C   -4.662800      5.1399998E-02  0.3075000    
 C   7.9000004E-02  -1.781000      0.1711000    
 C   -6.104500     -0.1665000     -0.1588000    
 C    1.036300      -2.830100     -0.3800000    
 C   -7.087700      0.8693000      0.3955000    
 C    1.608900       2.744300     -0.4666000    
 C    3.348300      -3.690500     -0.4534000    
 C   -8.550000      0.6875000     -1.8300001E-02
 C   -9.489400       1.709600      0.6020000    
 H    2.470500      0.9805000       1.499100    
 H    2.713600     -0.2841000     -0.6913000    
 H    4.981800       1.885500     -3.8300000E-02
 H    2.113900      -1.413800       1.633600    
 H    3.706600      -2.147600       1.522600    
 H   -2.250100     -0.8897000       1.305600    
 H   -1.904300      0.1019000     -0.1079000    
 H   -3.765900      -1.004400      -1.347300    
 H   -4.102000      -2.016200      5.4499999E-02
 H    3.058600       1.677900      -1.644500    
 H   -1.726900      -2.957100     -2.0300001E-02
 H   -1.370900      -1.956700      -1.426000    
 H   -4.315600       1.039900     -1.5699999E-02
 H   -4.625400      3.6400001E-02   1.403300    
 H   0.4383000     -0.7883000     -0.1184000    
 H   7.5300001E-02  -1.852000       1.264200    
 H   -6.140400     -0.1408000      -1.254900    
 H   -6.436600      -1.166900      0.1453000    
 H   -6.756800       1.869000      8.6400002E-02
 H   -7.030500      0.8512000       1.491500    
 H    1.138400       1.877700      4.3000001E-03
 H    1.561300       3.596500      0.2192000    
 H    2.883500      -4.461600      -1.073200    
 H    3.826300      -4.175400      0.4029000    
 H    4.101500      -3.173700      -1.053100    
 H    5.225100      0.4654000       1.822300    
 H    5.261500     -0.9818000      0.3653000    
 H   -8.625900      0.7488000      -1.110400    
 H   -8.883100     -0.3174000      0.2670000    
 H    4.350800       3.915600      0.7175000    
 H    4.502000       3.409800      -1.770000    
 H   -9.467600       1.647400       1.694600    
 H   -10.51720       1.532100      0.2707000    
 H   -9.207400       2.726100      0.3101000    
 H  -6.8700001E-02   3.253900      -1.302000    


%chk=000174432-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174432

0 1
O 5.027998 0.383997 1.458745
O 4.616896 -0.912910 -0.867755
O 4.524121 2.931697 0.889667
O 3.076219 3.894383 -1.130802
O 0.651618 -4.024778 -0.880013
O 0.547361 3.630604 -0.389480
N 2.447816 -2.903180 0.091250
C 3.750668 0.680153 0.785282
C 3.439701 -0.576961 -0.060129
C 3.931837 1.960429 -0.048776
C 3.003466 -1.765153 0.841659
C -2.237100 -0.993107 0.289126
C -3.695638 -1.169435 -0.189872
C 2.651790 2.561768 -0.663854
C -1.304606 -2.131053 -0.181071
C -4.627007 -0.014789 0.242675
C 0.141812 -1.941854 0.315357
C -6.087788 -0.196937 -0.227585
C 1.091550 -3.037671 -0.209228
C -7.015593 0.967185 0.187655
C 1.478997 2.729068 0.317733
C 3.402989 -3.915073 -0.406954
C -8.477837 0.781250 -0.278081
C -9.396165 1.951843 0.134978
H 2.964403 0.840296 1.552415
H 2.638008 -0.363601 -0.789839
H 4.643603 1.759501 -0.875301
H 2.264694 -1.408491 1.581502
H 3.886645 -2.107430 1.412178
H -2.223116 -0.931769 1.398516
H -1.849168 -0.019481 -0.082949
H -3.708621 -1.255787 -1.296229
H -4.094333 -2.129017 0.199816
H 2.323404 1.952645 -1.529744
H -1.684818 -3.107998 0.170537
H -1.304860 -2.190219 -1.285642
H -4.231592 0.943204 -0.157036
H -4.607746 0.078025 1.349206
H 0.508759 -0.941130 0.005437
H 0.155053 -1.945000 1.426021
H -6.106041 -0.302882 -1.332551
H -6.488269 -1.148223 0.181263
H -6.618881 1.918382 -0.226149
H -6.995728 1.077212 1.292498
H 0.995606 1.752851 0.526061
H 1.833168 3.185608 1.263868
H 2.837154 -4.656134 -0.991541
H 3.901753 -4.424167 0.440449
H 4.166163 -3.432553 -1.041089
H 5.411811 1.262048 1.729637
H 5.395805 -0.780523 -0.257542
H -8.496427 0.666449 -1.381179
H -8.874733 -0.166924 0.138872
H 4.490587 3.812181 0.425418
H 2.241923 4.415610 -1.284030
H -9.416003 2.070596 1.235023
H -10.435660 1.792872 -0.206444
H -9.040442 2.906030 -0.298067
H -0.211506 3.876444 0.192885


