%chk=000048158.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048158

0 1
 O    1.733500      -2.460100     -0.2962000    
 O   0.5323000       1.840000       1.480300    
 O    4.217300       1.286100      -1.186300    
 N    2.947800     -0.5693000     -0.7232000    
 N    2.363700       1.527800      0.1455000    
 C   0.9246000     -0.4005000      0.6694000    
 C  -0.3880000     -0.4717000     -5.9400000E-02
 C   0.8047000      -1.009500       2.073100    
 C    1.888800      -1.246600     -0.1446000    
 C    1.240000       1.079100      0.8170000    
 C   -1.535100     -0.9510000      0.4576000    
 C   -2.875000      -1.049700     -0.2148000    
 C   -3.736100      0.1788000      8.2599998E-02
 C  -0.3426000      3.5799999E-02  -1.476000    
 C   -5.086600      9.5500000E-02 -0.6292000    
 C    3.241400      0.7825000     -0.6270000    
 C   -5.930900       1.332700     -0.3686000    
 H    1.779900     -0.9692000       2.576300    
 H   0.1081000     -0.4628000       2.720100    
 H   0.5159000      -2.067500       2.055700    
 H   -1.566700      -1.306600       1.483400    
 H   -2.773900      -1.201200      -1.294600    
 H   -3.378900      -1.950700      0.1576000    
 H   -3.895500      0.2689000       1.164700    
 H   -3.212000       1.087600     -0.2396000    
 H   0.1809000      0.9935000      -1.551300    
 H   0.1605000     -0.6824000      -2.131700    
 H   -1.331200      0.2238000      -1.903000    
 H   -5.632000     -0.7926000     -0.2895000    
 H   -4.932600     -1.1200000E-02  -1.709400    
 H    3.588200      -1.128900      -1.279600    
 H    2.571800       2.518900      0.2310000    
 H   -6.892200       1.251300     -0.8855000    
 H   -5.426800       2.235100     -0.7292000    
 H   -6.129400       1.453800      0.7010000    


%chk=000048158-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048158

0 1
O 1.780030 -2.589901 0.070665
O 0.797157 2.014319 1.338897
O 4.546981 0.925005 -1.172676
N 3.098605 -0.804346 -0.558944
N 2.621704 1.426784 0.054737
C 0.932502 -0.353922 0.668441
C -0.333764 -0.372282 -0.246641
C 0.673122 -0.811297 2.131149
C 1.950557 -1.345816 0.054302
C 1.425437 1.112537 0.731074
C -1.544502 -0.752686 0.244299
C -2.867539 -0.808134 -0.488088
C -3.902523 0.197254 0.091509
C -0.083642 0.063372 -1.681512
C -5.284068 0.089438 -0.593145
C 3.493966 0.543523 -0.604469
C -6.312801 1.089827 -0.023670
H 1.609134 -0.773181 2.716525
H -0.056219 -0.139266 2.609797
H 0.306352 -1.849598 2.140069
H -1.612837 -1.041593 1.301185
H -2.748722 -0.621565 -1.571016
H -3.285980 -1.832253 -0.391459
H -4.017174 0.021603 1.180955
H -3.509573 1.227648 -0.018003
H 0.312938 1.096306 -1.731409
H 0.650967 -0.594255 -2.186018
H -1.006127 0.040384 -2.280735
H -5.667849 -0.945159 -0.479310
H -5.165580 0.258919 -1.682960
H 3.745672 -1.469661 -0.995749
H 2.917282 2.408862 0.071711
H -7.292368 0.993065 -0.526798
H -5.966655 2.132315 -0.154735
H -6.470584 0.923457 1.058624


