%chk=000107794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107794

0 1
 O  -0.2633000       2.440900     -1.3600000E-02
 O    2.952000      -2.016500      0.4366000    
 O   -2.288000     -0.1841000      -2.020400    
 O    3.886500      0.2641000     -0.8489000    
 O   -2.499000      -1.917100     -0.5629000    
 N   -3.729100      0.3332000      0.9121000    
 C   -1.321000      0.1511000       1.327400    
 C   -2.412700      0.3775000      0.2726000    
 C   7.2300002E-02  0.1913000      0.7414000    
 C   0.5237000       1.335000      0.1032000    
 C   0.8739000     -0.9330000      0.8587000    
 C    2.161900     -0.9125000      0.3236000    
 C    1.811600       1.355400     -0.4321000    
 C   -2.399600     -0.7169000     -0.7760000    
 C    2.630800      0.2317000     -0.3218000    
 H   -1.483600     -0.8104000       1.833800    
 H   -1.385800      0.9180000       2.111100    
 H   -2.325600       1.350900     -0.2150000    
 H   0.5086000      -1.825400       1.360000    
 H    2.177300       2.247100     -0.9355000    
 H   -3.875600     -0.5734000       1.354300    
 H   -4.460900      0.4382000      0.2104000    
 H   0.2274000       3.131700     -0.4909000    
 H    2.462300      -2.709900      0.9115000    
 H   -2.288400     -0.8762000      -2.715500    
 H    4.037600       1.134400      -1.255800    


%chk=000107794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107794

0 1
O -0.151568 2.663859 0.302227
O 2.904500 -2.077321 0.080296
O -2.579946 -0.751893 -2.017674
O 4.012955 0.231928 -0.815317
O -2.165792 -2.157108 -0.214200
N -3.802442 0.385980 0.774168
C -1.372070 0.308333 1.287959
C -2.454127 0.290483 0.178539
C 0.042468 0.301603 0.738112
C 0.636949 1.490501 0.250674
C 0.810651 -0.885857 0.674003
C 2.122993 -0.911129 0.157159
C 1.953048 1.493000 -0.267230
C -2.346825 -0.996942 -0.655600
C 2.703840 0.296363 -0.315035
H -1.524811 -0.570031 1.942942
H -1.556090 1.222061 1.878051
H -2.306287 1.156183 -0.486234
H 0.352656 -1.818677 1.028322
H 2.400589 2.425878 -0.639339
H -4.042228 -0.396806 1.391918
H -4.549360 0.614184 0.111633
H 0.364922 3.450057 -0.001244
H 2.386273 -2.851646 0.413597
H -2.560721 -1.614416 -2.516794
H 4.313723 1.126514 -1.112632


