%chk=000052737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052737

0 1
 O   -2.057500      -1.327800      0.4015000    
 N    4.009900      0.3535000     -0.4315000    
 C   -2.797800     -0.1645000      4.7800001E-02
 C   -3.590800      0.3267000       1.258000    
 C   -3.713100     -0.4789000      -1.134900    
 C   -4.477400       1.515900      0.9030000    
 C   -4.599700      0.7102000      -1.490100    
 C   -5.390500       1.202600     -0.2802000    
 C  -0.6941000      -1.243700      0.3035000    
 C    3.559500     -0.9831000     -1.2000001E-03
 C    2.074900      -1.074500      0.1047000    
 C   9.0999998E-02  -1.439300       1.434400    
 C  -0.1074000     -0.9641000     -0.9260000    
 C    1.479700      -1.354600       1.334800    
 C    1.281300     -0.8792000      -1.025600    
 C    4.150400      -2.036000     -0.9566000    
 C    3.567100       1.361700      0.5122000    
 C    4.022000       2.731000      0.1107000    
 C    3.192500       3.744100     -0.1642000    
 H   -2.124600      0.6531000     -0.2497000    
 H   -2.902900      0.5993000       2.067400    
 H   -4.205100     -0.4927000       1.653500    
 H   -4.336700      -1.350000     -0.8950000    
 H   -3.118500     -0.7736000      -2.007200    
 H   -3.848100       2.380600      0.6590000    
 H   -5.083100       1.796800       1.771800    
 H   -5.291000      0.4285000      -2.292300    
 H   -3.977600       1.526900      -1.876300    
 H   -5.961200       2.097500     -0.5523000    
 H   -6.118300      0.4366000      1.4900000E-02
 H    4.008100      -1.187300      0.9813000    
 H  -0.3687000      -1.656800       2.394300    
 H  -0.7098000     -0.8186000      -1.817600    
 H    2.083200      -1.508300       2.225300    
 H    1.724700     -0.6576000      -1.992600    
 H    5.028800      0.3575000     -0.4865000    
 H    3.838700      -3.044500     -0.6617000    
 H    5.245800      -2.007300     -0.9374000    
 H    3.831600      -1.879200      -1.993200    
 H    3.976200       1.155800       1.509600    
 H    2.475800       1.380700      0.6088000    
 H    5.093300       2.907300      5.0400000E-02
 H    3.586400       4.714800     -0.4451000    
 H    2.115600       3.626900     -0.1163000    


%chk=000052737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052737

0 1
O -2.098539 -0.687255 1.145381
N 4.094223 0.295770 -0.606462
C -3.063549 0.148861 0.388963
C -4.249456 0.383208 1.337966
C -3.513218 -0.552194 -0.910275
C -5.356405 1.208540 0.637010
C -4.615016 0.274513 -1.620601
C -5.815850 0.535383 -0.679242
C -0.745496 -0.699049 0.766422
C 3.542328 -0.982435 -0.098233
C 2.050386 -0.849220 0.228367
C 0.094653 -1.511673 1.568695
C -0.185746 0.040483 -0.307684
C 1.475113 -1.578725 1.299450
C 1.201029 -0.042660 -0.563693
C 3.774014 -2.081601 -1.164369
C 4.210665 1.375884 0.404364
C 4.956338 2.572477 -0.145481
C 4.491788 3.845694 -0.151842
H -2.589186 1.126033 0.152007
H -3.893777 0.893700 2.251806
H -4.649835 -0.602080 1.647578
H -3.909947 -1.550637 -0.639548
H -2.653000 -0.716325 -1.585199
H -4.972492 2.225345 0.411866
H -6.214479 1.338213 1.323501
H -4.947376 -0.256006 -2.533122
H -4.193503 1.246064 -1.953695
H -6.570796 1.165364 -1.187935
H -6.307477 -0.430460 -0.442064
H 4.061858 -1.303604 0.842797
H -0.354085 -2.066104 2.398877
H -0.807782 0.679413 -0.941600
H 2.115869 -2.203014 1.935770
H 1.650989 0.535500 -1.379113
H 4.977859 0.149980 -1.113721
H 3.347117 -3.042588 -0.830228
H 4.855153 -2.231010 -1.353987
H 3.285738 -1.795667 -2.112950
H 4.738940 1.015412 1.326903
H 3.195079 1.675333 0.721857
H 5.962605 2.368007 -0.547867
H 5.092377 4.675545 -0.541536
H 3.495490 4.093983 0.234265


