%chk=000039626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039626

0 1
 O   -1.786800       4.185700      0.1060000    
 O   0.5322000       3.858500     -0.4483000    
 O    1.056700      -2.808200     -0.9809000    
 N  -0.1754000      -1.063800     -0.2412000    
 C   -2.380700     -0.7826000      0.1496000    
 C   -1.387400      -1.715900     -6.2899999E-02
 C   -3.803000      -1.150400      0.4130000    
 C   -1.606300      -3.198600     -6.4900003E-02
 C   -4.085600      -2.609700      2.4900001E-02
 C   -2.981500      -3.549100      0.5298000    
 C   -1.790000      0.5029000      8.3200000E-02
 C  -0.4208000      0.3172000     -0.1965000    
 C   -2.319100       1.808900      0.2158000    
 C   0.4290000       1.422900     -0.4197000    
 C    1.069200      -1.699500     -0.4537000    
 C   -1.452500       2.867900      2.8500000E-02
 C  -0.1333000       2.680100     -0.2844000    
 C    2.383200      -1.157800     -6.7000002E-02
 C  -0.5216000       4.808000     -0.1926000    
 C    2.491300     -0.3208000       1.042300    
 C    3.516100      -1.483700     -0.8109000    
 C    3.735600      0.1921000       1.408800    
 C    4.760500     -0.9710000     -0.4444000    
 C    4.870200     -0.1330000      0.6655000    
 H   -4.008800      -1.011900       1.481500    
 H   -4.480000     -0.4893000     -0.1396000    
 H   -1.557900      -3.562500      -1.098200    
 H  -0.8316000      -3.713200      0.5138000    
 H   -5.055100      -2.915800      0.4337000    
 H   -4.156200      -2.693700      -1.067200    
 H   -3.230600      -4.587500      0.2836000    
 H   -2.932400      -3.484300       1.624600    
 H   -3.368200       1.973100      0.4389000    
 H    1.461700       1.319200     -0.7252000    
 H  -0.6430000       5.444400      -1.076500    
 H  -0.2299000       5.436700      0.6565000    
 H    1.636400     -8.7899998E-02   1.670600    
 H    3.450900      -2.130000      -1.682300    
 H    3.823000      0.8357000       2.279200    
 H    5.644100      -1.223100      -1.023500    
 H    5.839500      0.2645000      0.9521000    


%chk=000039626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039626

0 1
O -1.813252 4.283712 0.010384
O 0.517477 3.970148 -0.488244
O 1.029858 -2.812333 -1.239093
N -0.146147 -1.048519 -0.258707
C -2.393509 -0.791017 0.153299
C -1.397407 -1.727963 -0.071928
C -3.830130 -1.161633 0.428876
C -1.580208 -3.222348 -0.036879
C -4.082330 -2.654292 0.088086
C -2.943482 -3.555145 0.627570
C -1.796480 0.531338 0.076280
C -0.393256 0.361766 -0.186345
C -2.372472 1.831470 0.171215
C 0.476435 1.458854 -0.419245
C 1.063035 -1.716169 -0.606983
C -1.498993 2.898415 -0.025315
C -0.124477 2.714630 -0.317604
C 2.360373 -1.130090 -0.138223
C -0.541789 4.992485 -0.283918
C 2.478673 -0.479868 1.118742
C 3.519800 -1.352764 -0.925425
C 3.742277 -0.046232 1.572776
C 4.778128 -0.900793 -0.478060
C 4.891888 -0.246745 0.772557
H -4.073538 -0.974606 1.495987
H -4.514103 -0.517361 -0.159109
H -1.535617 -3.634971 -1.062932
H -0.753567 -3.712576 0.511058
H -5.054467 -2.975128 0.507596
H -4.146086 -2.774399 -1.011804
H -3.183039 -4.620253 0.449168
H -2.863231 -3.418442 1.724702
H -3.435382 1.984508 0.372022
H 1.535020 1.357058 -0.657004
H -0.661585 5.575684 -1.213807
H -0.271252 5.620342 0.583206
H 1.589396 -0.325949 1.738587
H 3.415392 -1.888231 -1.874811
H 3.830948 0.446226 2.547060
H 5.668205 -1.062629 -1.095467
H 5.870795 0.098317 1.123732


