%chk=000176879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176879

0 1
 O    3.552200      -1.278100     -0.5591000    
 O   0.3930000       4.124300      0.3156000    
 O    3.164100     -7.6200001E-02   1.359300    
 N    1.781800       1.728700     -0.1820000    
 N    2.367200      0.6194000     -0.7031000    
 C   -1.720700      0.5579000      7.9300001E-02
 C   0.3804000       1.747000     -9.3000000E-03
 C  -0.3360000      0.5527000     -8.7700002E-02
 C   -2.464200     -0.6807000     -2.6000000E-03
 C  -0.2881000       2.946500      0.2362000    
 C   -2.389300       1.757000      0.3248000    
 C   -1.673200       2.951400      0.4030000    
 C    3.670100      -2.513500      0.1557000    
 C   -2.680700      -1.441300       1.146600    
 C   -2.964800      -1.114100      -1.230300    
 C    2.297800      -2.933100      0.6598000    
 C    4.284100      -3.563700     -0.7573000    
 C   -3.397600      -2.635300       1.067900    
 C   -3.681900      -2.308100      -1.308800    
 C   -3.898200      -3.068600     -0.1597000    
 C    3.038800     -0.2276000      0.1480000    
 C   0.5655000       4.855500     -0.8964000    
 H   0.1595000     -0.3977000     -0.2724000    
 H   -3.468500       1.778700      0.4574000    
 H   -2.200800       3.881800      0.5951000    
 H    4.349000      -2.365900       1.004900    
 H    2.306600       2.593500     -0.1920000    
 H   -2.297200      -1.118300       2.111600    
 H   -2.805100     -0.5334000      -2.135800    
 H    2.336800      -3.928800       1.113800    
 H    1.901200      -2.248300       1.415200    
 H    1.570500      -2.955600     -0.1598000    
 H    4.410600      -4.519100     -0.2393000    
 H    5.262300      -3.229000      -1.119000    
 H    3.659700      -3.723700      -1.643300    
 H    2.286100      0.4808000      -1.703900    
 H   -3.566000      -3.227600       1.962500    
 H   -4.071600      -2.645700      -2.264600    
 H   -4.456400      -3.998200     -0.2209000    
 H  -0.4046000       5.175800      -1.289500    
 H    1.092200       4.254000      -1.644000    
 H    1.164400       5.743900     -0.6780000    


%chk=000176879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176879

0 1
O 3.428333 -1.674776 -0.497387
O 0.810699 3.840388 -0.555946
O 2.916448 0.005643 1.090554
N 1.709761 1.414048 -1.112726
N 2.341882 0.180786 -1.194494
C -1.896595 0.570836 -0.356132
C 0.351452 1.511588 -0.743639
C -0.521152 0.407324 -0.680804
C -2.800990 -0.612657 -0.281578
C -0.158372 2.818572 -0.471385
C -2.380832 1.877379 -0.095778
C -1.516077 2.995479 -0.149151
C 4.061268 -2.520005 0.575662
C -2.322656 -1.876347 0.165312
C -4.171190 -0.512546 -0.652379
C 2.961946 -3.293223 1.318028
C 5.064904 -3.413099 -0.157329
C -3.179162 -2.995653 0.237705
C -5.030515 -1.629301 -0.576196
C -4.539539 -2.879150 -0.131627
C 2.888457 -0.449465 -0.076507
C 0.382078 5.203055 -0.241983
H -0.126778 -0.587123 -0.911779
H -3.426478 2.025021 0.192681
H -1.909843 3.991531 0.074930
H 4.571010 -1.827970 1.271962
H 2.296618 2.234522 -0.947315
H -1.280010 -1.972585 0.489592
H -4.557462 0.440730 -1.030986
H 3.413117 -3.941939 2.091229
H 2.266661 -2.597644 1.817603
H 2.396016 -3.931132 0.615879
H 5.597051 -4.053885 0.568765
H 5.809153 -2.805372 -0.699586
H 4.548451 -4.065127 -0.883789
H 2.418792 -0.275097 -2.105846
H -2.788251 -3.955811 0.593729
H -6.080347 -1.527520 -0.874412
H -5.205600 -3.747278 -0.073918
H 0.001810 5.272165 0.795479
H -0.397913 5.548015 -0.948105
H 1.282855 5.824926 -0.350431


