%chk=000030449.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030449

0 1
 O   -2.095700       1.102200     -0.8598000    
 O   -4.322400      -1.151500      0.7135000    
 O    4.733800     -0.5872000      0.2683000    
 O    4.143100       1.526500      0.3219000    
 N   -2.514000     -7.1400002E-02 -0.2035000    
 N    3.856700      0.3088000      0.2233000    
 C  -0.1793000     -0.8116000     -0.2611000    
 C   0.1671000      0.5480000     -0.1692000    
 C   -1.620500      -1.198300     -0.4463000    
 C  -0.9202000       1.589900     -0.2006000    
 C   0.8219000      -1.787600     -0.2162000    
 C    1.506200      0.9133000      2.7999999E-03
 C    2.497500     -6.6799998E-02  5.5000000E-02
 C    2.156400      -1.414200     -5.7100002E-02
 C   -3.768100     -0.1158000      0.3431000    
 C   -4.462600       1.215600      0.4858000    
 H   -1.783900      -1.525600      -1.479300    
 H   -1.896000      -2.016300      0.2279000    
 H   -1.175300       1.907100      0.8174000    
 H  -0.5830000       2.467100     -0.7626000    
 H   0.5668000      -2.840500     -0.3020000    
 H    1.746600       1.970300      9.1700003E-02
 H    2.904300      -2.202400     -2.3200000E-02
 H   -3.830100       1.915700       1.038400    
 H   -5.397800       1.084000       1.037800    
 H   -4.692200       1.622900     -0.5025000    


%chk=000030449-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030449

0 1
O -2.089325 1.207427 -0.782645
O -4.253129 -1.233667 0.770626
O 4.838044 -0.688807 0.141159
O 4.263583 1.514684 0.282120
N -2.515650 -0.018652 -0.114852
N 3.966573 0.263553 0.157255
C -0.176360 -0.778411 -0.221190
C 0.205475 0.585715 -0.090529
C -1.640233 -1.166906 -0.364897
C -0.858265 1.672353 -0.090222
C 0.820286 -1.785758 -0.240749
C 1.568859 0.923533 0.034143
C 2.534963 -0.101821 0.024656
C 2.182620 -1.462077 -0.114200
C -3.822533 -0.111073 0.365598
C -4.631525 1.173834 0.369223
H -1.821492 -1.587203 -1.377180
H -1.928323 -1.944297 0.364862
H -1.118032 1.983458 0.941304
H -0.542208 2.555114 -0.671234
H 0.521952 -2.834813 -0.347938
H 1.899402 1.962416 0.132042
H 2.964802 -2.225083 -0.119030
H -4.085762 1.997170 0.861093
H -5.576786 0.981960 0.897734
H -4.847639 1.499550 -0.663650


