%chk=000048403.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048403

0 1
 O  -0.8955000      -1.083600       2.046000    
 O   -1.387200       1.732900      -1.679000    
 O   -4.511300      -1.496800     -0.7489000    
 N   -2.751400      -1.222600      0.7047000    
 N   -2.996600      0.1839000      -1.156400    
 C    2.248900      9.9900000E-02 -0.4860000    
 C   -1.331100      0.7717000      0.5466000    
 C    2.964800     -0.9100000      -1.344500    
 C    3.134400       1.138100      0.1521000    
 C    4.112700      -1.561700     -0.5721000    
 C    4.281000      0.4759000      0.9174000    
 C    5.047200     -0.5197000      4.4700000E-02
 C   0.1789000       1.050900      0.5583000    
 C   0.9233000      6.4700000E-02 -0.2877000    
 C   -2.047300       1.811300       1.426900    
 C   -1.601200     -0.5974000       1.162600    
 C   -1.869500      0.9398000     -0.8708000    
 C   -3.500300     -0.8773000     -0.4139000    
 H    3.360800     -0.4019000      -2.232600    
 H    2.283200      -1.690200      -1.703200    
 H    2.603300       1.805700      0.8365000    
 H    3.547700       1.775500     -0.6401000    
 H    3.705100      -2.198500      0.2234000    
 H    4.682700      -2.214900      -1.242600    
 H    4.969700       1.245000       1.285500    
 H    3.883000     -4.4300001E-02   1.797900    
 H    5.814400      -1.021700      0.6449000    
 H    5.568400      2.1600001E-02 -0.7546000    
 H   0.5551000      0.9998000       1.588500    
 H   0.3698000       2.066600      0.1879000    
 H   0.3593000     -0.7262000     -0.7773000    
 H   -3.131100       1.645900       1.445200    
 H   -1.694300       1.766200       2.463700    
 H   -1.880300       2.829500       1.056700    
 H   -3.032300      -2.069300       1.191300    
 H   -3.458400      0.3739000      -2.041500    


%chk=000048403-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048403

0 1
O -2.517033 -0.928901 2.190476
O -0.680698 2.493337 -0.741295
O -2.671951 -1.347192 -2.434909
N -2.557808 -1.100509 -0.113007
N -1.676557 0.567655 -1.536364
C 1.898077 -0.355542 -0.020778
C -1.395909 0.864037 0.946722
C 2.596070 -1.568828 -0.624059
C 2.548316 0.967211 -0.398824
C 4.111025 -1.578979 -0.271207
C 4.063797 0.962463 -0.044093
C 4.787329 -0.248671 -0.677999
C 0.058328 0.589107 1.524332
C 0.824333 -0.503827 0.809384
C -2.078170 1.964131 1.808889
C -2.200541 -0.437708 1.076006
C -1.223893 1.387023 -0.486730
C -2.320483 -0.677067 -1.432646
H 2.500978 -1.532709 -1.730693
H 2.115562 -2.505560 -0.284999
H 2.046166 1.831116 0.068874
H 2.452240 1.108236 -1.496666
H 4.226283 -1.730647 0.820923
H 4.605193 -2.433145 -0.773085
H 4.525531 1.908930 -0.385212
H 4.177864 0.922496 1.057976
H 5.853852 -0.255746 -0.381012
H 4.762993 -0.149879 -1.783396
H -0.089552 0.314520 2.586298
H 0.591292 1.554570 1.491075
H 0.476577 -1.529132 1.012323
H -3.095083 2.193937 1.444214
H -2.154040 1.614967 2.851592
H -1.477682 2.887386 1.765588
H -3.059051 -1.990050 -0.016819
H -1.517454 0.905667 -2.491276


