%chk=000137842.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137842

0 1
 O    4.446200      0.8426000     -0.2816000    
 O    4.222400      -1.310100      0.1104000    
 O   -4.894200     -0.6901000     -0.8643000    
 O   -4.424000      0.6448000      0.8233000    
 N    3.735500     -0.1669000     -6.0600001E-02
 N   -4.107500     -0.1576000     -6.7400001E-02
 C  -0.4446000      0.2995000      0.1166000    
 C    2.325600     -9.4999997E-03 -7.9999998E-04
 C   0.3709000       1.404700     -0.1276000    
 C   0.1252000     -0.9601000      0.3022000    
 C    1.755900       1.250100     -0.1865000    
 C    1.510200      -1.114500      0.2436000    
 C   -1.888700      0.4606000      0.1775000    
 C   -2.733100     -0.4935000     -0.1848000    
 H  -5.6200001E-02   2.393600     -0.2761000    
 H  -0.4776000      -1.840500      0.5103000    
 H    2.359500       2.133400     -0.3792000    
 H    1.919100      -2.110100      0.3965000    
 H   -2.214400       1.438100      0.5269000    
 H   -2.549200      -1.470200     -0.6052000    


%chk=000137842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137842

0 1
O 4.557150 0.927951 0.000361
O 4.331644 -1.343811 0.031580
O -5.099776 -1.117083 0.023733
O -4.603561 1.119662 -0.011733
N 3.845370 -0.148358 0.014560
N -4.263985 -0.127501 0.007524
C -0.435583 0.268643 0.004793
C 2.366274 -0.001617 0.010941
C 0.407549 1.418388 -0.011630
C 0.167736 -1.024925 0.024403
C 1.807809 1.293989 -0.008738
C 1.564016 -1.166060 0.027507
C -1.886857 0.478861 0.001027
C -2.843885 -0.489441 0.012749
H -0.045678 2.415712 -0.026799
H -0.455200 -1.924716 0.037591
H 2.466978 2.165565 -0.021152
H 2.045340 -2.147270 0.042505
H -2.247574 1.516605 -0.012767
H -2.696766 -1.570294 0.026745


