%chk=000153327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153327

0 1
 O   -1.297100       1.165000      0.3566000    
 O    3.060000     -0.6228000       1.496900    
 O    2.839500     -6.1700001E-02 -0.7290000    
 O  -0.1357000       2.319500      -1.275200    
 O   0.1609000      -1.203100      -2.641800    
 N   0.1513000     -0.5233000     -0.6460000    
 N   0.2456000      -1.556500      -1.459600    
 C   -1.246500     -8.6599998E-02 -0.3811000    
 C   -2.081800      -1.132800      0.3918000    
 C   -3.526900     -0.6949000      0.6362000    
 C   0.9097000     -0.7423000      0.5908000    
 C   -4.312700      -1.765200       1.378200    
 C    2.363000     -0.4282000      0.3367000    
 C  -0.7130000       2.264300     -0.1983000    
 C  -0.8823000       3.434900      0.7219000    
 C    4.466100     -0.3663000       1.422000    
 H   -1.752900      0.1092000      -1.337300    
 H   -1.624600      -1.317900       1.372200    
 H   -2.087300      -2.086100     -0.1502000    
 H   -4.017300     -0.4865000     -0.3217000    
 H   -3.550600      0.2308000       1.221900    
 H   0.5921000     -5.0700001E-02   1.380700    
 H   0.8115000      -1.767600      0.9703000    
 H   -5.343000      -1.433800       1.541100    
 H   -4.342800      -2.698000      0.8060000    
 H   -3.864800      -1.974900       2.354800    
 H  -0.4151000       4.317500      0.2758000    
 H   -1.945600       3.640600      0.8686000    
 H  -0.3940000       3.228200       1.677600    
 H    4.899700     -0.5583000       2.407100    
 H    4.646500      0.6797000       1.156600    
 H    4.935100      -1.036500      0.6952000    


%chk=000153327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153327

0 1
O -0.770742 0.776991 0.395553
O 2.949251 -0.596431 1.535816
O 2.212352 0.777481 -0.199064
O -1.192307 2.155542 -1.452453
O -0.528583 -1.389556 -2.882816
N 0.081685 -1.159986 -0.715237
N 0.378546 -1.613352 -2.012402
C -1.155692 -0.421573 -0.387142
C -2.147216 -1.243231 0.449656
C -3.486751 -0.502546 0.661895
C 1.127555 -1.429278 0.264285
C -4.491075 -1.338600 1.482460
C 2.115094 -0.270437 0.468028
C -0.749274 2.020448 -0.297272
C -0.117408 3.080175 0.569055
C 4.020083 0.384309 1.846478
H -1.596317 -0.112377 -1.355523
H -1.698135 -1.491432 1.431968
H -2.326194 -2.197815 -0.082985
H -3.926328 -0.254684 -0.324551
H -3.291847 0.459039 1.173100
H 0.691451 -1.688735 1.243115
H 1.705786 -2.302076 -0.087582
H -5.442224 -0.793908 1.621706
H -4.721588 -2.295342 0.977356
H -4.088711 -1.575761 2.485507
H -0.425526 4.078656 0.225409
H -0.378607 2.935109 1.629301
H 0.979810 2.987889 0.469389
H 4.595573 -0.078187 2.659779
H 3.575093 1.340593 2.168771
H 4.649248 0.554776 0.957200


