%chk=000117194.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117194

0 1
 O    1.247000     -0.3064000      0.4827000    
 O   -3.623500      6.3400000E-02  0.2572000    
 O    2.507500      -1.222200      -1.204700    
 O   -4.856300     -0.6634000      -1.546000    
 N    3.481600     -0.4318000      0.7468000    
 N   -5.870300      0.2696000      0.2947000    
 C   -1.187200     -3.7599999E-02  0.4822000    
 C   -1.089800       1.470900      0.8518000    
 C   6.6699997E-02 -0.5264000     -0.2788000    
 C   -2.425000     -0.3372000     -0.3942000    
 C   -1.308300     -0.8240000       1.808300    
 C  -0.9626000       2.427200     -0.3279000    
 C    2.424700     -0.7030000     -9.6400000E-02
 C   -4.785800     -0.1561000     -0.4316000    
 C    4.858800     -0.7306000      0.4283000    
 C    5.497400      0.3936000     -0.2553000    
 C    6.025200       1.314200     -0.8171000    
 H   -1.973400       1.764400       1.433200    
 H  -0.2294000       1.632100       1.514000    
 H  -2.2900000E-02  -1.601800     -0.4816000    
 H   0.1557000     -1.2900000E-02  -1.243600    
 H   -2.480200      -1.415200     -0.5955000    
 H   -2.346500      0.1770000      -1.359600    
 H  -0.4398000     -0.6578000       2.455400    
 H   -2.197400     -0.5242000       2.374100    
 H   -1.381400      -1.901400       1.621500    
 H  -5.7900000E-02   2.233700     -0.9106000    
 H  -0.9014000       3.457700      3.8100000E-02
 H   -1.828600       2.368000     -0.9927000    
 H    3.279700      1.4900000E-02   1.636400    
 H   -6.814700      0.1830000     -6.5800004E-02
 H   -5.760600      0.6839000       1.214200    
 H    4.895000      -1.629400     -0.1960000    
 H    5.369500     -0.9495000       1.371100    
 H    6.493000       2.130800      -1.315400    


%chk=000117194-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117194

0 1
O 1.228355 -0.282129 0.388512
O -3.649860 0.105371 0.368095
O 2.463027 -1.371102 -1.302770
O -5.028412 -0.839126 -1.297174
N 3.488533 -0.395037 0.575455
N -5.901958 0.381363 0.511121
C -1.209292 -0.054994 0.468568
C -1.101150 1.491605 0.656715
C -0.018106 -0.608008 -0.348470
C -2.468806 -0.441275 -0.342020
C -1.253960 -0.737613 1.860953
C -1.103553 2.340544 -0.633750
C 2.412193 -0.740227 -0.215482
C -4.889270 -0.178362 -0.238674
C 4.865513 -0.709819 0.167145
C 5.737623 0.481225 0.103607
C 6.481501 1.463405 0.072597
H -1.945581 1.807828 1.297318
H -0.172353 1.692476 1.223012
H -0.082726 -1.706802 -0.463607
H 0.042512 -0.160387 -1.357368
H -2.577666 -1.539896 -0.418057
H -2.450183 -0.027865 -1.367324
H -0.351760 -0.484272 2.443339
H -2.144273 -0.404828 2.421449
H -1.300549 -1.839249 1.765162
H -0.256405 2.091402 -1.298754
H -1.014231 3.412850 -0.380915
H -2.039988 2.216416 -1.207142
H 3.317284 0.143718 1.424614
H -6.860850 0.261792 0.198158
H -5.691675 0.903447 1.357934
H 4.795224 -1.190347 -0.826268
H 5.313391 -1.451163 0.858487
H 7.126253 2.322561 0.032733


