%chk=000050634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050634

0 1
 O  -0.7778000      0.6034000     -6.3000001E-02
 O   -1.969000       2.559800      0.1672000    
 N    4.035800      9.5200002E-02 -0.3262000    
 N   -6.497000      -1.963900     -9.4999999E-02
 C    4.041900     -0.8551000      0.7949000    
 C    5.326000      0.7896000     -0.4409000    
 C    5.144100      -1.901900      0.6250000    
 C    6.470100     -0.2032000     -0.6510000    
 C    6.510400      -1.246500      0.4600000    
 C    2.947300       1.060200     -0.1730000    
 C    1.600600      0.3441000     -0.1755000    
 C   0.4452000       1.326500     -3.9400000E-02
 C   -1.914300       1.345500      4.9600001E-02
 C   -3.117200      0.4760000      1.2800000E-02
 C   -4.246700      0.8702000      0.7005000    
 C   -3.069000     -0.6992000     -0.7090000    
 C   -5.377200      5.3900000E-02  0.6649000    
 C   -4.199600      -1.515600     -0.7446000    
 C   -5.353600      -1.139000     -5.7599999E-02
 H    4.169600     -0.3344000       1.753000    
 H    3.116700      -1.433500      0.8519000    
 H    5.306100       1.472100      -1.299200    
 H    5.524400       1.395500      0.4531000    
 H    4.929300      -2.524100     -0.2532000    
 H    5.158700      -2.569900       1.493900    
 H    7.424500      0.3341000     -0.6880000    
 H    6.348000     -0.7051000      -1.619400    
 H    6.802500     -0.7667000       1.402100    
 H    7.267700      -2.005700      0.2362000    
 H    3.062300       1.645400      0.7488000    
 H    2.964300       1.768100      -1.011300    
 H    1.474800     -0.2436000      -1.093900    
 H    1.491000     -0.3583000      0.6561000    
 H   0.4609000       2.041000     -0.8709000    
 H   0.5271000       1.875100      0.9065000    
 H   -4.276100       1.795000       1.269000    
 H   -2.187800      -1.008200      -1.263200    
 H   -6.270400      0.3580000       1.204800    
 H   -4.170100      -2.441300      -1.313900    
 H   -6.479500      -2.830000     -0.6169000    
 H   -7.333400      -1.692800      0.4048000    


%chk=000050634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050634

0 1
O -0.814514 0.527035 -0.022367
O -1.961330 2.428551 0.699123
N 4.109114 0.063559 -0.206246
N -6.777861 -1.828380 -0.358136
C 4.316123 -0.871628 0.930250
C 5.362309 0.799738 -0.522842
C 5.426139 -1.896320 0.618181
C 6.503918 -0.171940 -0.885562
C 6.747651 -1.180791 0.259102
C 2.970558 0.989251 0.018121
C 1.596362 0.295292 -0.107564
C 0.455072 1.288005 0.121749
C -1.987623 1.232854 0.302088
C -3.203015 0.409619 0.121100
C -4.465367 0.982616 0.436867
C -3.159700 -0.928165 -0.358504
C -5.649577 0.249062 0.282098
C -4.338781 -1.671076 -0.519121
C -5.606735 -1.094934 -0.200846
H 4.590260 -0.306416 1.862755
H 3.369530 -1.401875 1.135799
H 5.158694 1.479530 -1.371687
H 5.687618 1.436607 0.344225
H 5.101655 -2.523448 -0.234627
H 5.565628 -2.562051 1.491788
H 7.423178 0.406009 -1.101940
H 6.224591 -0.718579 -1.807032
H 7.128395 -0.640763 1.151147
H 7.522845 -1.915899 -0.029039
H 3.044597 1.497307 1.016896
H 3.034509 1.787399 -0.747688
H 1.512990 -0.153938 -1.113382
H 1.499641 -0.524716 0.627287
H 0.458382 2.110078 -0.619364
H 0.487420 1.740181 1.130841
H -4.489772 2.013983 0.804751
H -2.190353 -1.371558 -0.603144
H -6.615588 0.704752 0.531122
H -4.291614 -2.701797 -0.891304
H -6.753076 -2.784429 -0.701251
H -7.681674 -1.422026 -0.133644


