%chk=000048171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048171

0 1
 O   0.8420000       1.310500      -2.111000    
 O    1.107400     -0.8532000       2.048100    
 O    4.338500       2.133000      0.7445000    
 N    2.638800       1.645500     -0.7248000    
 N    2.771800      0.5642000       1.352600    
 C    1.170600     -0.2751000     -0.3061000    
 C  -0.3431000     -0.5314000     -0.3428000    
 C    1.902600      -1.456500     -0.9676000    
 C   -1.106900      0.6709000      0.1945000    
 C    1.497000      0.9686000      -1.126800    
 C    1.642100     -0.2126000       1.143300    
 C    1.605700      -2.758300     -0.2376000    
 C   -2.594000      0.4281000      0.1574000    
 C    2.347900      -3.921200     -0.8765000    
 C    3.330200       1.480400      0.4694000    
 C   -3.315200      0.7853000     -0.9725000    
 C   -3.218300     -0.1483000       1.253700    
 C   -4.691500      0.5611000      -1.006700    
 C   -4.594500     -0.3728000       1.219400    
 C   -5.331100     -1.7999999E-02  8.9199997E-02
 H  -0.6283000      -1.400500      0.2608000    
 H  -0.6690000     -0.7473000      -1.369500    
 H    2.987000      -1.282000     -0.9705000    
 H    1.606100      -1.545400      -2.021300    
 H  -0.8990000       1.587000     -0.3688000    
 H  -0.8140000      0.8963000       1.227500    
 H   0.5420000      -3.009300     -0.2645000    
 H    1.920100      -2.727400      0.8085000    
 H    2.959000       2.395700      -1.330900    
 H    3.190100      0.5173000       2.277600    
 H    2.051700      -4.049500      -1.922700    
 H    3.430700      -3.763200     -0.8426000    
 H    2.125300      -4.852300     -0.3455000    
 H   -2.825700       1.234800      -1.831900    
 H   -2.653200     -0.4301000       2.137700    
 H   -5.265000      0.8367000      -1.886800    
 H   -5.092600     -0.8242000       2.072500    
 H   -6.402700     -0.1930000      6.2500000E-02


%chk=000048171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048171

0 1
O 1.030997 1.140870 -2.265895
O 1.234754 -0.826891 2.140466
O 4.339857 2.341368 0.768979
N 2.692324 1.672124 -0.750373
N 2.818899 0.675206 1.387020
C 1.191886 -0.283390 -0.263848
C -0.349933 -0.470939 -0.275042
C 1.916292 -1.538106 -0.928053
C -1.141006 0.754975 0.258282
C 1.589441 0.899448 -1.165293
C 1.707186 -0.168241 1.178211
C 1.576640 -2.914419 -0.315281
C -2.641752 0.503530 0.208765
C 2.425188 -4.029052 -0.967536
C 3.360648 1.608868 0.485693
C -3.387377 0.814099 -0.957713
C -3.315870 -0.086766 1.308630
C -4.773195 0.544757 -1.023660
C -4.701701 -0.358070 1.246858
C -5.435407 -0.043088 0.079403
H -0.595836 -1.348876 0.345648
H -0.662540 -0.683485 -1.313300
H 3.013841 -1.380574 -0.883882
H 1.630828 -1.528372 -1.998023
H -0.892622 1.644179 -0.351681
H -0.829905 0.960531 1.300725
H 0.504495 -3.138645 -0.465936
H 1.746745 -2.904106 0.776902
H 3.027493 2.391795 -1.399454
H 3.235806 0.670540 2.323976
H 2.258716 -4.075181 -2.060253
H 3.505676 -3.862160 -0.798058
H 2.167192 -5.016995 -0.545736
H -2.878314 1.273289 -1.814518
H -2.751711 -0.330327 2.217742
H -5.335987 0.795825 -1.930091
H -5.208731 -0.810159 2.107034
H -6.510519 -0.249760 0.031092


