%chk=000049847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049847

0 1
 O    1.804100       2.166100     -0.6960000    
 N  -0.6713000       1.067700      0.1761000    
 N    3.395900     -0.1689000     -0.2942000    
 N    4.887400      -1.687200      -1.204200    
 N    5.491500     -0.6938000      0.7563000    
 C   0.5955000      0.4107000      0.4080000    
 C    1.738700       1.420300      0.5191000    
 C   -1.877000      0.3947000      7.3500000E-02
 C    3.091000      0.7655000      0.7954000    
 C   -3.089300       1.076500     -0.1534000    
 C   -1.918500      -1.008000      0.1953000    
 C   -3.124300      -1.702000      9.4499998E-02
 C   -4.295100      0.3824000     -0.2541000    
 C   -4.312600      -1.006700     -0.1303000    
 C   -3.099900       2.564300     -0.2905000    
 C   -3.143700      -3.187300      0.2268000    
 C    4.527600     -0.7944000     -0.2223000    
 H   0.7897000     -0.2728000     -0.4272000    
 H   0.5545000     -0.1726000       1.335800    
 H    1.519800       2.136900       1.319300    
 H  -0.6688000       2.075300      7.1699999E-02
 H    3.055000      0.2412000       1.757500    
 H    3.859100       1.547400      0.8357000    
 H   -1.012700      -1.584400      0.3673000    
 H   -5.229900      0.9080000     -0.4296000    
 H   -5.258500      -1.535300     -0.2127000    
 H   -2.723100       3.037800      0.6221000    
 H   -2.488900       2.876500      -1.144000    
 H   -4.111700       2.949400     -0.4596000    
 H    2.035400       1.547800      -1.410100    
 H   -2.450100      -3.518200       1.007200    
 H   -4.138100      -3.552100      0.5059000    
 H   -2.857800      -3.652700     -0.7217000    
 H    4.278300      -1.870100      -1.994200    
 H    5.768000      -2.188900      -1.168100    
 H    6.345800      -1.238500      0.7062000    
 H    5.387700     -8.0600001E-02   1.556800    


%chk=000049847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049847

0 1
O 1.727947 2.232693 -0.235747
N -0.627419 0.913073 0.272542
N 3.556174 0.372734 -0.298944
N 4.869464 -0.860312 -1.802068
N 5.407194 -0.972780 0.479914
C 0.594171 0.251353 0.719201
C 1.691254 1.323994 0.918626
C -1.850182 0.259769 0.099791
C 3.098608 0.682883 1.070092
C -2.959647 0.985373 -0.459059
C -2.032273 -1.098643 0.487163
C -3.280951 -1.751065 0.341736
C -4.193149 0.319385 -0.597992
C -4.369109 -1.030201 -0.203989
C -2.790361 2.435727 -0.872214
C -3.432882 -3.210121 0.744858
C 4.567991 -0.439465 -0.504201
H 0.952434 -0.509420 -0.012991
H 0.421167 -0.268577 1.684203
H 1.441296 1.948185 1.794994
H -0.446308 1.779328 -0.243139
H 3.037042 -0.212315 1.731148
H 3.769134 1.424065 1.556448
H -1.188243 -1.661185 0.902822
H -5.042483 0.872503 -1.019309
H -5.344883 -1.515429 -0.321906
H -2.454556 3.065467 -0.024047
H -2.038962 2.556504 -1.680067
H -3.741138 2.852420 -1.245626
H 2.378239 1.768995 -0.855120
H -2.984074 -3.407342 1.736314
H -4.495968 -3.504822 0.789271
H -2.931659 -3.881702 0.020429
H 4.223615 -0.559602 -2.529078
H 5.831954 -1.060821 -2.066153
H 5.939689 -1.822234 0.308190
H 5.350576 -0.624417 1.432206


