%chk=000025579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025579

0 1
 O    1.350700       2.380100     -1.1000000E-02
 O    1.430500     -0.1919000      -2.241200    
 O   0.4258000     -0.3866000       2.308600    
 O    2.974600      0.9054000      2.8899999E-02
 O   0.6594000      -1.964000      -1.203900    
 O    1.901900      -1.596800       1.231500    
 O   -3.401200       1.400800     -1.7100001E-02
 N    1.775500       1.214900      1.7200001E-02
 N   0.9838000     -0.7686000      -1.238600    
 N    1.035700     -0.7108000       1.280300    
 N   -4.189900     -0.7584000     -4.3699998E-02
 C   0.7446000      8.1500001E-02  7.7999998E-03
 C  -0.6947000      0.6317000     -3.7000000E-02
 C   -1.805800     -0.4291000     -4.9400002E-02
 C   -3.190800      0.1916000     -3.2600001E-02
 H  -0.8214000       1.257900     -0.9323000    
 H  -0.8680000       1.302900      0.8162000    
 H   -1.742200      -1.042600     -0.9544000    
 H   -1.723100      -1.091900      0.8185000    
 H   -5.167600     -0.4874000     -3.6300000E-02
 H   -3.992300      -1.753900     -5.8100000E-02


%chk=000025579-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025579

0 1
O 1.367411 2.390002 -0.516269
O 2.237156 -0.196411 -1.940864
O 0.525109 -0.562211 2.237862
O 2.709773 1.163937 0.873169
O 0.382311 -1.523934 -1.816144
O 1.768690 -1.894756 0.853076
O -3.354705 1.246313 -0.674571
N 1.692856 1.336482 0.124408
N 1.156386 -0.596582 -1.396061
N 1.034772 -0.884286 1.108818
N -4.262095 -0.695686 0.214804
C 0.707842 0.105953 -0.062788
C -0.740223 0.575919 -0.061765
C -1.808406 -0.532245 0.049843
C -3.198026 0.097873 -0.165927
H -0.920375 1.175766 -0.971491
H -0.851794 1.273308 0.787859
H -1.654445 -1.307150 -0.721954
H -1.763183 -1.024458 1.038631
H -5.208194 -0.346302 0.061519
H -4.135362 -1.616730 0.631246


