%chk=000051679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051679

0 1
 O   -1.968400     -0.3110000     -0.6789000    
 O   -1.076800      -1.298400       1.194600    
 O    4.280400     -0.6413000     -0.6017000    
 N   0.2601000     -0.2847000     -0.4042000    
 N    2.529000      0.4586000     -0.1967000    
 N    3.745200      0.1374000      0.1965000    
 C   -3.215300     -4.0300000E-02 -2.9200001E-02
 C    1.540400     -0.5397000      0.2322000    
 C   -3.016800       1.068700      0.9928000    
 C   -4.254700      0.3326000      -1.075500    
 C  -0.9415000     -0.6888000      0.1386000    
 C    2.118300       1.806900      0.2315000    
 H   -3.555900     -0.9535000      0.4746000    
 H    1.410200     -0.5567000       1.322400    
 H    1.827900      -1.550300     -8.5800000E-02
 H   -3.974600       1.375800       1.425700    
 H   -2.370300      0.7641000       1.821000    
 H   -2.549200       1.945900      0.5315000    
 H   -5.229800      0.5267000     -0.6188000    
 H   -4.365100     -0.4749000      -1.807300    
 H   -3.944200       1.222400      -1.634200    
 H   0.2533000      0.1727000      -1.310400    
 H    2.012100       1.878900       1.321000    
 H    1.171600       2.106900     -0.2308000    
 H    2.857900       2.552700     -8.6499996E-02


%chk=000051679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051679

0 1
O -1.899296 -0.169477 -0.630790
O -0.736717 -0.137586 1.427346
O 2.731304 0.527322 -2.083975
N 0.331455 -0.605403 -0.607262
N 2.383078 0.545163 0.127708
N 2.932058 1.166229 -0.976370
C -3.177658 0.216423 0.070128
C 1.652503 -0.744237 -0.014329
C -3.202022 1.738900 0.264182
C -4.297873 -0.316162 -0.825637
C -0.764392 -0.285291 0.173822
C 2.500899 1.241373 1.418104
H -3.170425 -0.290865 1.052754
H 1.551896 -1.169426 0.995688
H 2.260197 -1.399579 -0.659525
H -4.148301 2.041156 0.749324
H -2.367548 2.064039 0.908026
H -3.130269 2.255087 -0.709578
H -5.279824 -0.096171 -0.369255
H -4.209775 -1.407906 -0.957766
H -4.261554 0.160707 -1.820893
H 0.243391 -0.586466 -1.624212
H 3.114283 0.656015 2.127575
H 1.499847 1.395804 1.856312
H 2.988543 2.211053 1.231025


