%chk=000111054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111054

0 1
 O   0.6381000       2.590800       1.040100    
 O    1.364600      -2.628100      0.5265000    
 O    5.755400     -0.1148000     -0.1951000    
 O    4.293000      0.7755000      -1.695000    
 N  -5.2400000E-02 -0.8308000      0.7715000    
 N    2.001800      0.8144000      0.5085000    
 C  -0.4014000      0.5137000      0.3367000    
 C    2.137200     -0.4469000     -0.2053000    
 C   -1.701700      0.9788000      0.9723000    
 C   0.7681000       1.414800      0.7085000    
 C    1.155000      -1.421200      0.4309000    
 C    3.566100     -0.9625000     -0.1484000    
 C   -2.905600      0.4091000      0.2684000    
 C   -3.470400       1.106100     -0.7900000    
 C   -3.431400     -0.8042000      0.6887000    
 C    4.537200     -1.6000000E-03 -0.7842000    
 C   -4.585000      0.5786000      -1.442000    
 C   -4.545900      -1.331600      3.6699999E-02
 C   -5.122700     -0.6402000      -1.028800    
 H  -0.4699000      0.5059000     -0.7589000    
 H    1.825400     -0.2773000      -1.243400    
 H   -1.783600       2.073300      0.9437000    
 H   -1.734300      0.7192000       2.039300    
 H  -0.7749000      -1.435700       1.148100    
 H    2.829000       1.378800      0.6785000    
 H    3.856900      -1.118000      0.8986000    
 H    3.658500      -1.923100     -0.6676000    
 H   -3.057800       2.054800      -1.121500    
 H   -2.999400      -1.348400       1.523300    
 H   -5.033700       1.116600      -2.271900    
 H   -4.966200      -2.279500      0.3599000    
 H   -5.990800      -1.050700      -1.536200    
 H    6.410400      0.5004000     -0.5885000    


%chk=000111054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111054

0 1
O 0.652894 2.947640 0.225761
O 1.226763 -2.352729 -1.139957
O 5.583571 -0.997363 1.043582
O 4.906606 0.909387 -0.088343
N -0.144539 -0.525750 -0.733959
N 2.026561 1.138454 -0.241961
C -0.450482 0.881669 -0.416980
C 2.327783 -0.229235 -0.698650
C -1.468759 0.983011 0.765141
C 0.792918 1.734136 -0.114930
C 1.084994 -1.119829 -0.872309
C 3.312914 -0.950300 0.255926
C -2.802776 0.337412 0.424065
C -3.763561 1.041219 -0.349772
C -3.102389 -0.988323 0.833831
C 4.642127 -0.233802 0.359107
C -4.989105 0.436557 -0.705207
C -4.328632 -1.597652 0.478541
C -5.274889 -0.887215 -0.294192
H -0.926769 1.356446 -1.300400
H 2.809878 -0.178660 -1.697416
H -1.584768 2.060073 0.979369
H -1.016533 0.508036 1.655386
H -0.951248 -1.148165 -0.864082
H 2.847698 1.744163 -0.112757
H 2.880054 -1.030645 1.271394
H 3.467028 -1.983093 -0.103299
H -3.553384 2.072122 -0.662020
H -2.379871 -1.539240 1.449361
H -5.722742 0.996368 -1.296074
H -4.544602 -2.620260 0.807409
H -6.226481 -1.355841 -0.568193
H 6.439342 -0.492393 1.115028


