%chk=000005896.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005896

0 1
 O    4.056600       1.482500      0.6095000    
 O    3.510700      -1.777100     -0.6601000    
 N    3.250600      0.4048000      0.1496000    
 C   -1.296400      -1.704200      0.3208000    
 C  -0.2717000     -0.5983000      0.1785000    
 C  -0.9105000      0.6416000     -4.7699999E-02
 C   -2.595600     -0.9455000      0.1482000    
 C   -2.341500      0.4278000     -6.6500001E-02
 C    1.106800     -0.6996000      0.2471000    
 C  -0.1653000       1.797900     -0.2080000    
 C    1.857600      0.4662000      8.5600004E-02
 C   -3.885400      -1.445600      0.1822000    
 C   -3.387800       1.316400     -0.2500000    
 C    1.227900       1.702500     -0.1394000    
 C   -4.939900     -0.5496000     -3.0000000E-03
 C   -4.693600      0.8175000     -0.2170000    
 C    3.987200     -0.7252000     -0.2335000    
 C    5.490300     -0.6119000     -9.6299998E-02
 H   -1.241600      -2.157700       1.314700    
 H   -1.174700      -2.449400     -0.4707000    
 H    1.537300      -1.665800      0.4795000    
 H  -0.6371000       2.758900     -0.3835000    
 H   -4.077000      -2.500000      0.3474000    
 H   -3.213500       2.374200     -0.4160000    
 H    1.817400       2.607600     -0.2690000    
 H   -5.964300     -0.9118000      1.8200001E-02
 H   -5.531300       1.495600     -0.3585000    
 H    5.864000      0.2076000     -0.7162000    
 H    5.760400     -0.4453000      0.9501000    
 H    5.960600      -1.541100     -0.4317000    
 H    3.987900       1.345800       1.570100    


%chk=000005896-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005896

0 1
O 4.002130 1.561149 0.234957
O 3.687253 -1.985920 -0.258089
N 3.318278 0.278836 0.142889
C -1.379026 -1.763334 0.206477
C -0.311690 -0.677489 0.122312
C -0.930308 0.601338 -0.021841
C -2.679155 -0.972281 0.104184
C -2.393111 0.422012 -0.031005
C 1.081671 -0.821102 0.169525
C -0.126683 1.755801 -0.132659
C 1.885131 0.352871 0.062786
C -4.008432 -1.428388 0.126798
C -3.442173 1.361853 -0.143893
C 1.277447 1.631104 -0.093540
C -5.061088 -0.484614 0.013216
C -4.778022 0.897990 -0.120788
C 4.164769 -0.830465 -0.059797
C 5.657530 -0.543844 -0.010702
H -1.313776 -2.335038 1.152817
H -1.276957 -2.500381 -0.614023
H 1.558355 -1.797545 0.262592
H -0.575625 2.747044 -0.259623
H -4.234631 -2.496062 0.229884
H -3.231459 2.432373 -0.247894
H 1.910712 2.513102 -0.214577
H -6.102454 -0.825451 0.028538
H -5.604260 1.612723 -0.207342
H 5.949984 0.186097 -0.784371
H 5.960206 -0.120914 0.963673
H 6.183435 -1.495946 -0.174783
H 3.900050 1.843281 1.188678


