%chk=000044491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044491

0 1
 O    3.250100      0.1477000      4.2399999E-02
 O   -1.147800      -2.374400     -0.4985000    
 O   -6.474700      0.8920000      0.6040000    
 O   -5.742700      -1.134700       1.023100    
 O    6.439000       1.527600      0.4381000    
 O    4.456500       2.457200      0.2816000    
 N   -5.559800      3.3399999E-02  0.6028000    
 N    5.184100       1.420800      0.3044000    
 C   -1.985300     -0.1861000     -0.3843000    
 C   -3.244300     -0.5423000      9.9299997E-02
 C    2.898500      -1.150300     -5.9000000E-02
 C  -0.9071000      -1.162000     -0.3942000    
 C   -4.277900      0.3945000      0.1100000    
 C   -1.759800       1.106800     -0.8570000    
 C    1.529100      -1.543100     -0.2189000    
 C   0.5076000     -0.6736000     -0.2445000    
 C    3.980100      -1.977700      1.0400000E-02
 C   -4.052200       1.687400     -0.3627000    
 C   -2.793200       2.043400     -0.8463000    
 C    4.601700      0.1579000      0.1815000    
 C    5.098400      -1.124700      0.1680000    
 H   -3.402200      -1.552900      0.4694000    
 H  -0.8068000       1.416400      -1.275300    
 H    1.339100      -2.607900     -0.3280000    
 H   0.6851000      0.3868000     -0.1078000    
 H    3.985000      -3.057500     -4.3200001E-02
 H   -4.833700       2.442900     -0.3713000    
 H   -2.620100       3.047800      -1.222100    
 H    6.135400      -1.415600      0.2597000    


%chk=000044491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044491

0 1
O 3.328355 0.121152 -0.104414
O -1.173011 -2.318248 0.171428
O -6.749002 0.699725 -0.195890
O -5.963193 -1.427293 0.050248
O 6.691793 1.339214 -0.245254
O 4.682052 2.455288 -0.375157
N -5.790329 -0.158715 -0.093725
N 5.394595 1.385031 -0.250764
C -1.996715 -0.067934 -0.090510
C -3.328788 -0.553624 -0.040863
C 2.942364 -1.234257 0.054162
C -0.889976 -1.084001 0.028944
C -4.392561 0.356108 -0.146756
C -1.775237 1.328082 -0.246231
C 1.541080 -1.546978 0.088980
C 0.524407 -0.631513 -0.022582
C 4.097476 -2.029371 0.147528
C -4.188174 1.746107 -0.302180
C -2.863315 2.223298 -0.350805
C 4.722121 0.121613 -0.103481
C 5.233009 -1.165087 0.048180
H -3.510576 -1.625630 0.079129
H -0.760493 1.734023 -0.286619
H 1.273619 -2.604232 0.214833
H 0.763747 0.427761 -0.150048
H 4.109346 -3.110195 0.273574
H -5.050465 2.413368 -0.380163
H -2.676653 3.294880 -0.470107
H 6.286623 -1.428769 0.080144


