%chk=000100166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100166

0 1
 O    1.746100       3.413900     -0.8929000    
 O    3.979300       3.408500     -0.5422000    
 O   0.9395000       1.536800       1.990300    
 N    1.403600      0.9166000     -0.1957000    
 N   -4.693600     -0.8561000      0.3597000    
 N   -6.588700     -0.5971000     -0.7341000    
 N   -5.292300     -0.2065000     -0.5250000    
 C    2.783500       1.333900     -0.2009000    
 C    3.613000      0.4885000      -1.176000    
 C    3.970200     -0.8696000     -0.6217000    
 C    2.909500       2.808500     -0.5543000    
 C    3.115300      -1.938400     -0.8395000    
 C    5.146200      -1.022700      9.5399998E-02
 C   0.5860000       1.055700      0.9170000    
 C  -0.8041000      0.5525000      0.7699000    
 C    3.445300      -3.193100     -0.3269000    
 C    5.476100      -2.277400      0.6080000    
 C    4.625600      -3.362500      0.3968000    
 C   -1.053000     -0.4639000     -0.1289000    
 C   -1.801600       1.117600       1.537000    
 C   -2.358100     -0.9365000     -0.2669000    
 C   -3.106700      0.6451000       1.399200    
 C   -3.385100     -0.3819000      0.4971000    
 C   -7.242800     -1.1100000E-02  -1.886500    
 C   -7.413200      -1.160700      0.3210000    
 H    3.168400       1.239100      0.8227000    
 H    3.086000      0.3704000      -2.132900    
 H    4.546900       1.006200      -1.434200    
 H    1.009000      0.6205000      -1.082500    
 H    2.194900      -1.818000      -1.403200    
 H    5.813600     -0.1831000      0.2675000    
 H    2.783200      -4.038100     -0.4914000    
 H    6.394700      -2.409200       1.172000    
 H    4.882300      -4.339300      0.7960000    
 H  -0.2770000     -0.9427000     -0.7169000    
 H   -1.601700       1.921100       2.239600    
 H   -2.563900      -1.742600     -0.9665000    
 H   -3.900100       1.083600       1.998800    
 H    1.876200       4.360400      -1.115200    
 H   -7.749800      0.9073000      -1.578600    
 H   -7.969100     -0.7219000      -2.290000    
 H   -6.503100      0.2160000      -2.660000    
 H   -7.806400     -0.3445000      0.9330000    
 H   -6.839700      -1.851900      0.9436000    
 H   -8.242300      -1.715300     -0.1282000    


%chk=000100166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100166

0 1
O 2.385371 2.911098 -2.527525
O 4.302891 3.499565 -1.355368
O 1.166128 1.453760 1.494512
N 1.631564 1.068408 -0.751447
N -4.699429 -0.548437 -0.550176
N -6.839840 -0.594614 0.091587
N -5.578188 -0.178360 0.366009
C 3.015243 1.518172 -0.628707
C 4.072502 0.424409 -0.989248
C 3.986606 -0.862203 -0.174375
C 3.316567 2.747017 -1.489914
C 4.408046 -2.077798 -0.773335
C 3.561496 -0.885683 1.178621
C 0.768221 1.081330 0.340779
C -0.643394 0.646267 0.086021
C 4.420184 -3.285404 -0.040880
C 3.569875 -2.093680 1.912061
C 4.001844 -3.297199 1.309633
C -1.042371 -0.110485 -1.048069
C -1.625210 0.998118 1.051882
C -2.387637 -0.484566 -1.218727
C -2.969678 0.634086 0.886398
C -3.370177 -0.112705 -0.261546
C -7.869091 -0.225058 1.066410
C -7.163817 -1.381639 -1.110367
H 3.147219 1.826124 0.425057
H 3.986244 0.182575 -2.067052
H 5.069212 0.889531 -0.850685
H 1.258823 0.929872 -1.691039
H 4.732820 -2.077841 -1.822034
H 3.198492 0.026546 1.665158
H 4.751322 -4.212513 -0.522762
H 3.230575 -2.092326 2.953949
H 4.006118 -4.231891 1.881577
H -0.305798 -0.450478 -1.785923
H -1.295404 1.561068 1.931348
H -2.705992 -1.076622 -2.082800
H -3.721733 0.913766 1.629589
H 2.635592 3.705673 -3.072229
H -8.342086 -1.123544 1.506351
H -8.657699 0.393495 0.597517
H -7.383870 0.354592 1.865940
H -6.589196 -2.325776 -1.119987
H -6.885933 -0.823845 -2.023099
H -8.244316 -1.594707 -1.109607


