%chk=000048943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048943

0 1
 O  -0.1039000      -1.226200     -0.3213000    
 O  -4.4500001E-02  0.8236000      -1.367000    
 N    3.666400       1.397900     -0.5372000    
 C    1.244700      -1.483100     -0.7275000    
 C    2.149400     -0.4193000     -0.1527000    
 C    1.651300      -2.883200     -0.2813000    
 C    2.288500     -0.2908000       1.213100    
 C    2.840500      0.4264000     -0.9864000    
 C   -2.015100      0.1114000     -0.2294000    
 C  -0.6475000     -2.9800000E-02 -0.7025000    
 C    3.129400      0.6972000       1.713500    
 C   -2.930900      0.8694000     -0.9593000    
 C   -2.411700     -0.5117000      0.9540000    
 C    3.789700       1.508200      0.8046000    
 C   -4.243000       1.004700     -0.5056000    
 C   -3.724000     -0.3764000       1.407500    
 C   -4.639500      0.3817000      0.6776000    
 H    1.276900      -1.464500      -1.825100    
 H    1.521000      -3.024100      0.7972000    
 H    2.692500      -3.102100     -0.5394000    
 H    1.009900      -3.629300     -0.7638000    
 H    1.752400     -0.9321000       1.905600    
 H    2.765300      0.3609000      -2.066800    
 H    3.261700      0.8299000       2.781200    
 H   -2.639200       1.359000      -1.884800    
 H   -1.717400      -1.098100       1.550200    
 H    4.456200       2.294300       1.143800    
 H   -4.956200       1.594500      -1.074000    
 H   -4.032400     -0.8589000       2.330300    
 H   -5.661000      0.4874000       1.031000    


%chk=000048943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048943

0 1
O -0.073917 -1.167768 -0.190965
O -0.394139 0.374989 -1.916349
N 4.007519 1.317718 -0.510819
C 1.325433 -1.411596 -0.694349
C 2.265002 -0.367507 -0.112950
C 1.659300 -2.847714 -0.274858
C 2.350218 -0.137056 1.282955
C 3.106671 0.394673 -0.960153
C -2.180683 -0.019753 -0.299676
C -0.828065 -0.216385 -0.897135
C 3.265992 0.820745 1.766613
C -3.050276 0.916549 -0.917844
C -2.610188 -0.734610 0.848802
C 4.077022 1.515937 0.838450
C -4.339303 1.135883 -0.391081
C -3.901358 -0.511724 1.371863
C -4.767184 0.422287 0.754335
H 1.303395 -1.311532 -1.795128
H 1.628973 -2.958310 0.823070
H 2.674472 -3.112023 -0.619659
H 0.938904 -3.555134 -0.719427
H 1.699006 -0.686147 1.972063
H 3.054210 0.271614 -2.048904
H 3.354298 1.030315 2.837348
H -2.695825 1.455983 -1.802384
H -1.931901 -1.454712 1.314607
H 4.804570 2.263483 1.174992
H -5.009082 1.858902 -0.868785
H -4.234148 -1.063503 2.257702
H -5.769416 0.593297 1.163168


