%chk=000054096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054096

0 1
 O  -0.1926000     -0.2100000      -2.101000    
 N    3.100000      -1.310800      0.2730000    
 C  -0.4299000     -8.8399999E-02 -0.6778000    
 C   0.6502000     -0.9310000      3.6899999E-02
 C  -0.2020000       1.408200     -0.3823000    
 C   -1.811500     -0.7105000     -0.4206000    
 C    2.061200     -0.5697000     -0.4348000    
 C  -0.9213000       2.220200      0.5191000    
 C   -2.503500     -0.5658000      0.7958000    
 C   0.3688000      -2.408900     -0.2103000    
 C   -2.062600       1.780800       1.403300    
 C   -2.006800      0.3422000       1.882500    
 C   0.8844000       2.023900      -1.067900    
 C   -2.393000      -1.563400      -1.390100    
 C  -0.5939000       3.596300      0.6272000    
 C   -3.727200      -1.236000       1.004700    
 C    2.988000      -1.101100       1.717200    
 C    4.427400     -0.9121000     -0.1972000    
 C    1.205600       3.374400     -0.9291000    
 C   -3.607700      -2.219500      -1.175100    
 C   0.4541000       4.168400     -8.5600004E-02
 C   -4.276600      -2.056100      2.6100000E-02
 C    4.016900      -1.912500       2.477000    
 C    4.572000      -1.118500      -1.690800    
 H   0.5468000     -0.7407000       1.105700    
 H    2.119000     -0.7578000      -1.510300    
 H    2.298900      0.4701000     -0.2273000    
 H   0.3031000      -2.651600      -1.276500    
 H    1.170900      -3.035800      0.1963000    
 H  -0.5319000      -2.764900      0.2987000    
 H   -2.055400       2.404800       2.307700    
 H   -3.007300       1.993300      0.8855000    
 H   -2.658100      0.2484000       2.761400    
 H   -1.012300      5.3300001E-02   2.231300    
 H  -0.7721000      0.4209000      -2.563300    
 H    1.458300       1.489800      -1.823500    
 H   -1.903000      -1.751800      -2.342800    
 H   -1.165400       4.238900       1.295800    
 H   -4.267500      -1.112600       1.941000    
 H    3.073000     -4.1700002E-02   1.989700    
 H    2.033000      -1.467600       2.101600    
 H    4.657400      0.1310000      5.4800000E-02
 H    5.198800      -1.538300      0.2630000    
 H    2.023600       3.801900      -1.500900    
 H   -4.020200      -2.863200      -1.946400    
 H   0.6804000       5.224100      2.4900001E-02
 H   -5.219900      -2.563300      0.2028000    
 H    4.039500      -2.955800       2.143600    
 H    5.024300      -1.492500       2.396900    
 H    3.767700      -1.917900       3.544500    
 H    4.216900      -2.106600      -2.003500    
 H    4.052700     -0.3509000      -2.273200    
 H    5.630200      -1.052400      -1.968900    


%chk=000054096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054096

0 1
O -0.045140 -0.033928 -2.221243
N 3.209576 -1.036387 0.332354
C -0.390997 0.010104 -0.776526
C 0.739764 -0.883422 -0.120861
C -0.313992 1.506353 -0.313199
C -1.795329 -0.635534 -0.597457
C 2.166553 -0.428215 -0.540864
C -0.915180 2.074291 0.856263
C -2.438747 -0.748048 0.670903
C 0.556975 -2.384195 -0.437208
C -1.809196 1.380405 1.889307
C -1.838247 -0.159347 1.933293
C 0.459142 2.374662 -1.143540
C -2.436287 -1.209508 -1.725454
C -0.720838 3.461892 1.117536
C -3.698150 -1.391877 0.758527
C 3.413866 -0.264648 1.588560
C 4.483384 -1.304501 -0.388199
C 0.630836 3.744428 -0.870899
C -3.695928 -1.840640 -1.628592
C 0.030824 4.301838 0.278255
C -4.338508 -1.932864 -0.376896
C 3.942812 -1.131631 2.747631
C 4.409484 -2.542802 -1.301730
H 0.668601 -0.743695 0.973656
H 2.336849 -0.747761 -1.582477
H 2.240999 0.682048 -0.527046
H 0.465814 -2.539217 -1.527209
H 1.446710 -2.925493 -0.071194
H -0.339033 -2.808899 0.047128
H -1.514447 1.754456 2.889731
H -2.849359 1.732658 1.727688
H -2.452594 -0.465527 2.800370
H -0.822134 -0.547917 2.123426
H -0.683674 0.550588 -2.706979
H 0.941271 1.947173 -2.026858
H -1.923052 -1.198214 -2.690724
H -1.190115 3.885332 2.015265
H -4.180436 -1.468751 1.741029
H 4.097174 0.607221 1.423094
H 2.438340 0.164974 1.884684
H 4.808980 -0.413916 -0.984701
H 5.270397 -1.475700 0.369582
H 1.232965 4.363521 -1.545186
H -4.159822 -2.268652 -2.524373
H 0.149178 5.364324 0.517847
H -5.312850 -2.424989 -0.282278
H 3.237510 -1.954691 2.957584
H 4.924528 -1.580688 2.510543
H 4.065205 -0.523689 3.663999
H 4.162832 -3.439396 -0.706352
H 3.635817 -2.432083 -2.082965
H 5.379070 -2.708246 -1.808445


