%chk=000129444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129444

0 1
 O   0.5580000      -2.478300      3.6499999E-02
 O   -3.647100     -0.3313000     -0.5392000    
 N    4.112200     -0.1769000     -8.3600000E-02
 N   -2.534400       2.144300      0.2032000    
 C    1.827500     -3.8800001E-02  0.8092000    
 C    2.746300      0.2577000     -0.3911000    
 C   0.3710000     -0.1245000      0.4486000    
 C    2.784800       1.743100     -0.7502000    
 C  -0.1912000      -1.341000      8.0200002E-02
 C  -0.4012000       1.030600      0.4904000    
 C   -1.754800      0.9679000      0.1590000    
 C   -1.544700      -1.403600     -0.2512000    
 C   -2.326500     -0.2491000     -0.2118000    
 H    1.964500      0.7342000       1.579400    
 H    2.129300     -0.9619000       1.322100    
 H    2.413800     -0.3055000      -1.271100    
 H    3.491100       1.929100      -1.567600    
 H    3.089800       2.358400      0.1037000    
 H    1.804400       2.092500      -1.087800    
 H   4.3099999E-02   1.979000      0.7832000    
 H    4.111500      -1.168900      0.1513000    
 H    4.449200      0.3092000      0.7470000    
 H   -1.990200      -2.352300     -0.5403000    
 H   -3.488600       2.170500     -0.1226000    
 H   -2.092700       3.014600      0.4717000    
 H    1.499300      -2.262800     -5.5799998E-02
 H   -4.093700      0.5052000     -0.3385000    


%chk=000129444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129444

0 1
O 0.558172 -2.440838 -0.230648
O -3.693198 -0.198017 -0.667879
N 4.266856 -0.015637 0.084775
N -2.785789 2.095183 0.371720
C 1.849099 -0.024565 0.890410
C 2.851598 0.112214 -0.319522
C 0.379335 -0.077189 0.504830
C 2.661307 1.454046 -1.050915
C -0.194891 -1.262187 -0.049886
C -0.471869 1.046394 0.655041
C -1.824429 1.007718 0.264589
C -1.545278 -1.333468 -0.449936
C -2.355380 -0.194145 -0.293025
H 2.025659 0.835802 1.565286
H 2.144161 -0.925178 1.476337
H 2.641610 -0.702455 -1.043010
H 3.335155 1.507794 -1.922364
H 2.901936 2.300435 -0.375930
H 1.619340 1.574846 -1.391888
H -0.064464 1.969484 1.086848
H 4.514508 -0.908993 0.523238
H 4.616189 0.784922 0.622948
H -1.948312 -2.258261 -0.868379
H -2.589745 2.912607 -0.215303
H -3.039166 2.362461 1.328791
H 1.476380 -2.323327 0.117521
H -3.998083 0.741754 -0.438949


