%chk=000048926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048926

0 1
 O    1.655600      -1.084700      0.3638000    
 O    1.457100       1.136600      0.8982000    
 N   -2.558800     -0.7559000     -3.7999999E-02
 C   -4.414900       1.518800     -0.1359000    
 C   -2.381200      0.2940000      -1.065000    
 C   -3.966400     -0.9412000      0.3741000    
 C   -2.950300       1.633200     -0.5639000    
 C   -4.556900      0.3884000      0.8858000    
 C   -1.899000      -2.004200     -0.4223000    
 C   -4.919600       2.840900      0.4385000    
 C   -2.932200     -5.5599999E-02  -2.457000    
 C   -4.128200      -1.989100       1.486800    
 C  -0.4079000      -1.769100     -0.6416000    
 C   0.2715000      -1.270100      0.6266000    
 C    2.144100      0.1866000      0.5375000    
 C    3.575100      0.2509000      0.2366000    
 C    4.249200       1.460900      0.3552000    
 C    4.246300     -0.8988000     -0.1640000    
 C    5.612900       1.522300      6.8700001E-02
 C    5.610100     -0.8372000     -0.4502000    
 C    6.293400      0.3733000     -0.3339000    
 H   -5.029300       1.280100      -1.013000    
 H   -1.316000      0.5132000      -1.192000    
 H   -4.565000      -1.281000     -0.4806000    
 H   -2.847200       2.400900      -1.341100    
 H   -2.347500       1.976500      0.2887000    
 H   -4.059200      0.6746000       1.823000    
 H   -5.619300      0.2513000       1.125200    
 H   -1.975100      -2.750500      0.3753000    
 H   -2.352200      -2.455500      -1.312000    
 H   -4.835900       3.642500     -0.3028000    
 H   -5.972600       2.760600      0.7285000    
 H   -4.346600       3.137300       1.323700    
 H   -2.814100      0.7961000      -3.136600    
 H   -2.391200     -0.8933000      -2.907500    
 H   -3.995600     -0.3106000      -2.437600    
 H   -5.149200      -1.976300       1.885200    
 H   -3.953100      -3.004700       1.118500    
 H   -3.444400      -1.796600       2.321100    
 H   5.1600002E-02  -2.729300     -0.9145000    
 H  -0.1808000      -1.124700      -1.496800    
 H   0.1929000      -2.031300       1.411300    
 H  -0.2115000     -0.3684000       1.014400    
 H    3.736300       2.366500      0.6674000    
 H    3.755600      -1.861900     -0.2684000    
 H    6.145100       2.464800      0.1592000    
 H    6.140700      -1.731600     -0.7638000    
 H    7.355300      0.4211000     -0.5568000    


%chk=000048926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048926

0 1
O 1.711724 -1.051508 0.632549
O 1.426379 1.015232 -0.415173
N -2.620340 -0.747896 -0.051131
C -4.513019 1.538669 0.032172
C -2.378899 0.454892 -0.920775
C -4.070567 -1.002277 0.228183
C -3.005630 1.705732 -0.260250
C -4.707194 0.256159 0.870061
C -1.875963 -1.957377 -0.492355
C -5.097199 2.777276 0.743709
C -2.832371 0.285746 -2.401550
C -4.277584 -2.207743 1.172891
C -0.348890 -1.739393 -0.592487
C 0.226155 -1.190854 0.720848
C 2.185901 0.114744 0.029215
C 3.677525 0.157186 -0.015747
C 4.295436 1.300017 -0.587089
C 4.476711 -0.902069 0.488064
C 5.701259 1.383481 -0.653355
C 5.883195 -0.814419 0.418495
C 6.497745 0.326369 -0.151114
H -5.051306 1.410869 -0.931531
H -1.285557 0.623765 -0.931725
H -4.622891 -1.221025 -0.723914
H -2.831636 2.584244 -0.912345
H -2.478625 1.897369 0.696138
H -4.246466 0.405190 1.869021
H -5.787515 0.064683 1.028532
H -2.054046 -2.752994 0.252177
H -2.240823 -2.355702 -1.473672
H -4.968077 3.689652 0.131375
H -6.177970 2.653787 0.946703
H -4.589109 2.947501 1.712782
H -2.572127 1.194267 -2.975160
H -2.323571 -0.568240 -2.885599
H -3.921559 0.127654 -2.497506
H -5.330759 -2.232379 1.507198
H -4.065121 -3.179104 0.693187
H -3.635181 -2.105389 2.067577
H 0.124226 -2.712644 -0.824689
H -0.095662 -1.050859 -1.417992
H 0.075213 -1.893109 1.556887
H -0.216819 -0.212996 0.968469
H 3.657439 2.103772 -0.969258
H 3.988011 -1.776553 0.926221
H 6.176310 2.266768 -1.093720
H 6.500356 -1.631932 0.806860
H 7.590488 0.391240 -0.203175


