%chk=000005522.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005522

0 1
 O    2.148300       1.809300      0.4915000    
 O    1.938500       1.989300      -1.793800    
 N    1.083500      -1.173700     -0.7528000    
 N   -3.455100     -0.6226000      5.7599999E-02
 N   -2.215800       1.450900     -6.3699998E-02
 N   -3.259400      -1.950300     -3.5799999E-02
 C   1.1000000E-02 -0.3246000     -0.5289000    
 C   -1.300000     -0.8051000     -0.3234000    
 C   -2.317300      0.1111000     -0.1062000    
 C    1.085600      -2.572800     -0.3992000    
 C   0.1634000       1.072400     -0.4922000    
 C    2.509600      -3.121200     -0.3684000    
 C  -0.9459000       1.879800     -0.2640000    
 C   -1.946800      -2.055600     -0.2678000    
 C    3.385700      -2.429600      0.6794000    
 C   -4.783300     -0.1153000      0.3099000    
 C    1.483200       1.662900     -0.6929000    
 C  -0.7805000       3.367400     -0.2253000    
 C    4.777000      -3.041600      0.7312000    
 C   -5.072800      2.4800001E-02   1.794500    
 C    3.459000       2.381500      0.4257000    
 C    4.032300       2.462900       1.824500    
 H   0.6394000      -2.730700      0.5897000    
 H   0.5219000      -3.144500      -1.143800    
 H    1.826100     -0.8324000      -1.353700    
 H    2.970200      -3.008300      -1.357900    
 H    2.467400      -4.196600     -0.1563000    
 H   -1.549500      -3.051500     -0.3863000    
 H    2.919600      -2.514700       1.668000    
 H    3.479500      -1.360800      0.4560000    
 H   -4.879200      0.8532000     -0.1926000    
 H   -5.499700     -0.8000000     -0.1578000    
 H   -1.741400       3.862900     -4.6799999E-02
 H  -0.3922000       3.739000      -1.178900    
 H  -0.1046000       3.661200      0.5842000    
 H    5.386200      -2.534100       1.485600    
 H    4.729300      -4.103800      0.9915000    
 H    5.283300      -2.946300     -0.2348000    
 H   -4.989400     -0.9403000       2.305500    
 H   -6.086200      0.4074000       1.949500    
 H   -4.369700      0.7164000       2.270600    
 H    4.099100       1.751800     -0.2020000    
 H    3.396100       3.385100     -9.3999999E-03
 H    5.035900       2.897000       1.811300    
 H    3.390900       3.073300       2.468800    
 H    4.083200       1.467400       2.277900    


%chk=000005522-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005522

0 1
O 2.089922 2.723583 0.428687
O 2.859191 0.595026 -0.000650
N 1.205769 -1.352757 -0.328246
N -3.414244 -0.477299 0.025269
N -1.968353 1.457049 0.350139
N -3.298230 -1.846603 -0.245681
C 0.184280 -0.473975 -0.114363
C -1.194966 -0.879092 -0.136257
C -2.175493 0.133010 0.100744
C 1.070981 -2.791451 -0.594624
C 0.446730 0.947042 0.151706
C 2.459319 -3.445411 -0.745350
C -0.669863 1.858240 0.374362
C -1.961814 -2.081275 -0.343622
C 3.312852 -3.424165 0.545530
C -4.732037 0.138976 0.223409
C 1.854753 1.372077 0.181933
C -0.517474 3.340722 0.656774
C 4.674453 -4.126696 0.357801
C -5.404324 -0.325546 1.530135
C 3.525991 3.138009 0.456516
C 3.540046 4.639869 0.724893
H 0.519989 -3.280860 0.235449
H 0.481377 -2.950308 -1.521040
H 2.151752 -0.920882 -0.287909
H 3.013211 -2.946236 -1.566525
H 2.308294 -4.496263 -1.061903
H -1.636029 -3.095060 -0.560035
H 2.746508 -3.917704 1.361219
H 3.482583 -2.379578 0.871989
H -4.560065 1.228739 0.230501
H -5.363621 -0.115509 -0.646354
H -1.527972 3.759000 0.780635
H 0.006048 3.862527 -0.161981
H 0.077622 3.525018 1.567230
H 5.267049 -4.109447 1.290337
H 4.540676 -5.184434 0.061417
H 5.271197 -3.629409 -0.429868
H -5.524639 -1.422216 1.531995
H -6.402790 0.138205 1.625331
H -4.801092 -0.035268 2.407942
H 4.041068 2.560739 1.245275
H 3.985132 2.875180 -0.513309
H 4.584010 5.001652 0.758517
H 3.008023 5.189282 -0.070637
H 3.060583 4.874101 1.690823


