%chk=000048548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048548

0 1
 O   4.3299999E-02  -1.531700      -2.108100    
 O   0.1343000       1.099700       1.780100    
 O    3.369000      -2.062200       1.008900    
 N    1.758700      -1.726300     -0.5974000    
 N    1.803700     -0.4123000       1.345200    
 C   0.3087000      0.2495000     -0.4842000    
 C   -1.195500      0.5204000     -0.6324000    
 C   -2.028200     -0.5946000      4.9999999E-03
 C   -3.545300     -0.3367000     -5.2700002E-02
 C    1.097600       1.335600      -1.237400    
 C   0.6530000      -1.085800      -1.136300    
 C   0.7024000      0.3503000      0.9861000    
 C   -3.871800      0.9937000      0.6304000    
 C   -4.354200      -1.461100      0.5956000    
 C   0.8777000       2.675400     -0.6176000    
 C    2.389600      -1.432600      0.6055000    
 C    1.857100       3.418800     -9.0800002E-02
 H   -1.454900       1.471300     -0.1612000    
 H   -1.472300      0.6068000      -1.691300    
 H   -1.839900      -1.553100     -0.4902000    
 H   -1.738800     -0.7321000       1.054100    
 H   -3.850900     -0.2678000      -1.104500    
 H   0.7878000       1.376100      -2.289800    
 H    2.168800       1.092600      -1.250500    
 H   -3.529900       1.849200      4.0600002E-02
 H   -3.425600       1.054600       1.628800    
 H   -4.955500       1.113000      0.7429000    
 H   -4.111800      -1.561300       1.659000    
 H   -5.429200      -1.271500      0.5076000    
 H   -4.142200      -2.418600      0.1085000    
 H    2.095500      -2.546300      -1.094300    
 H    2.173800     -0.2635000       2.279900    
 H  -0.1170000       3.110300     -0.6534000    
 H    1.642900       4.401400      0.3154000    
 H    2.881200       3.064500     -5.1500000E-02


%chk=000048548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048548

0 1
O 0.193779 -1.329198 -2.265165
O 0.315485 1.168211 1.874822
O 3.227445 -2.366779 1.100701
N 1.702591 -1.794531 -0.577145
N 1.819688 -0.524132 1.411802
C 0.322684 0.299049 -0.426469
C -1.211118 0.546083 -0.518511
C -2.066120 -0.554977 0.147974
C -3.595059 -0.348005 -0.031781
C 1.122146 1.429868 -1.223381
C 0.693815 -1.002430 -1.158200
C 0.778460 0.353187 1.038660
C -4.099763 0.938394 0.666245
C -4.363285 -1.584456 0.492497
C 1.007529 2.822441 -0.647040
C 2.320142 -1.610515 0.674604
C 2.072788 3.613975 -0.369230
H -1.421898 1.518244 -0.042096
H -1.473646 0.617039 -1.590890
H -1.797566 -1.539511 -0.286087
H -1.841767 -0.599147 1.233843
H -3.796751 -0.254319 -1.120656
H 0.706343 1.401249 -2.250603
H 2.190424 1.147460 -1.294247
H -3.640274 1.851058 0.245838
H -3.868131 0.910721 1.748529
H -5.195587 1.038083 0.556656
H -4.183329 -1.726475 1.575959
H -5.453123 -1.469549 0.345051
H -4.044769 -2.507089 -0.027868
H 2.017047 -2.612932 -1.109002
H 2.201964 -0.415464 2.357114
H -0.006138 3.210256 -0.480494
H 1.944025 4.631192 0.015729
H 3.104068 3.268698 -0.517162


