%chk=000038298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038298

0 1
 O    2.655300     -0.1291000     -0.6544000    
 N   -3.764600      2.2399999E-02 -0.7208000    
 N    2.728600      -2.409400     -0.5276000    
 C   -1.311000      6.4800002E-02  0.5675000    
 C   -2.158400      -1.173000      0.7175000    
 C   -2.068900       1.360900      0.6030000    
 C   -3.639700     -0.9059000      0.4046000    
 C   -3.240300       1.359600     -0.3946000    
 C   1.2800000E-02  3.5999999E-03  0.3663000    
 C   0.8195000       1.239700      0.2226000    
 C   0.6945000      -1.300700      0.1987000    
 C   -5.138900      0.1021000      -1.206500    
 C    2.114900       1.085900     -0.2934000    
 C    1.994200      -1.290300     -0.3128000    
 C   0.3959000       2.528600      0.5816000    
 C   0.1570000      -2.549500      0.5329000    
 C    2.950300       2.193200     -0.4797000    
 C    1.234200       3.632900      0.4018000    
 C    2.508100       3.466300     -0.1327000    
 C   0.8941000      -3.712300      0.3290000    
 C    2.162400      -3.589800     -0.2031000    
 H   -1.933100      -1.898200     -6.9300003E-02
 H   -2.120000      -1.565100       1.738900    
 H   -2.439300       1.541000       1.619300    
 H   -1.638600       2.262500      0.2079000    
 H   -4.123400      -1.864500      0.1755000    
 H   -4.146700     -0.5034000       1.292300    
 H   -4.029300       1.999500      2.4100000E-02
 H   -2.930300       1.824800      -1.340400    
 H   -5.485900     -0.8813000      -1.542400    
 H   -5.203400      0.7705000      -2.072300    
 H   -5.828600      0.4652000     -0.4361000    
 H  -0.3835000       2.729000       1.311800    
 H  -0.7137000      -2.749900       1.132400    
 H    3.950700       2.065900     -0.8850000    
 H   0.9205000       4.613800      0.7489000    
 H    3.163500       4.323200     -0.2565000    
 H   0.5037000      -4.681200      0.6201000    
 H    2.782000      -4.463600     -0.3744000    


%chk=000038298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038298

0 1
O 2.195714 -0.073528 -1.246742
N -3.821375 -0.008826 -0.781200
N 2.459302 -2.355426 -0.998612
C -1.434280 0.102052 0.660614
C -2.327153 -1.129662 0.814288
C -2.234590 1.392909 0.597364
C -3.798651 -0.832502 0.439889
C -3.294635 1.356805 -0.546970
C -0.060987 0.031779 0.507855
C 0.831478 1.219389 0.359953
C 0.687450 -1.244094 0.321150
C -5.093791 -0.008366 -1.516334
C 1.917129 1.132178 -0.554215
C 1.766816 -1.265356 -0.620682
C 0.718427 2.427416 1.102003
C 0.437286 -2.480148 0.972613
C 2.777443 2.213927 -0.821643
C 1.579839 3.519076 0.864113
C 2.595117 3.422918 -0.118748
C 1.166430 -3.637600 0.617299
C 2.144168 -3.538098 -0.395609
H -1.951992 -1.946063 0.169468
H -2.297263 -1.502925 1.860577
H -2.759365 1.544197 1.563611
H -1.597782 2.274522 0.435972
H -4.321639 -1.785214 0.238516
H -4.336469 -0.348874 1.297601
H -4.116460 2.070141 -0.277410
H -2.838900 1.722595 -1.487311
H -5.394393 -1.044822 -1.752253
H -4.968544 0.533446 -2.471868
H -5.932927 0.481039 -0.957417
H -0.034093 2.495740 1.893984
H -0.313077 -2.534472 1.764520
H 3.581031 2.081983 -1.551789
H 1.466063 4.438282 1.448341
H 3.259822 4.271096 -0.313416
H 0.977497 -4.595573 1.110188
H 2.711956 -4.411741 -0.732997


