%chk=000161394.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161394

0 1
 O   0.7449000       2.355500       1.975900    
 O   -3.743400     -0.1326000      -1.584700    
 O   -3.630600      -1.172400       1.643600    
 N    2.422300      0.1558000     -0.4966000    
 N   -2.411100      -2.650100      0.3834000    
 C    3.419500     -0.8927000     -0.3742000    
 C    2.102200      0.7311000      0.8045000    
 C    1.039800       1.823900      0.6841000    
 C    4.695700     -0.2929000      0.2228000    
 C    2.865900      -1.984400      0.5445000    
 C    3.708000      -1.464300      -1.765100    
 C  -0.2409000       1.295500      8.0600001E-02
 C  -0.8924000      0.2370000      0.6920000    
 C  -0.7381000       1.880800      -1.071900    
 C   -2.074900     -0.2499000      0.1350000    
 C   -1.920700       1.394000      -1.628900    
 C   -2.589100      0.3285000      -1.025500    
 C   -2.757300      -1.362800      0.7805000    
 H    2.750700      0.8896000      -1.124100    
 H    1.749200     -4.9000001E-03   1.532300    
 H    2.973200       1.213300       1.262400    
 H    1.430100       2.653000      8.0300003E-02
 H    5.005500      0.6172000     -0.3049000    
 H    4.616900     -6.5200001E-02   1.291100    
 H    5.524500      -1.006400      0.1325000    
 H    1.844600      -2.272500      0.2672000    
 H    2.877600      -1.717300       1.606400    
 H    3.479800      -2.890500      0.4635000    
 H    4.096200     -0.6945000      -2.442500    
 H    4.453400      -2.266400      -1.717000    
 H    2.802300      -1.882800      -2.219800    
 H  -0.5064000     -0.2103000       1.603900    
 H  -0.2269000       2.710500      -1.551200    
 H    1.573200       2.706800       2.344700    
 H   -2.315800       1.849200      -2.533100    
 H   -4.098600     -0.8731000      -1.067000    
 H   -1.705100      -2.824300     -0.3249000    
 H   -2.859500      -3.461700      0.7954000    


%chk=000161394-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161394

0 1
O 0.515764 1.419223 2.427821
O -3.506785 -1.041967 -1.859013
O -4.732289 -1.343544 0.330876
N 2.857897 0.520707 -0.372545
N -3.862986 -0.663933 2.352523
C 3.843581 -0.524348 -0.807680
C 2.208388 0.388422 0.941314
C 0.915751 1.260200 1.016979
C 5.030166 -0.670058 0.191700
C 3.117856 -1.883408 -0.970363
C 4.378310 -0.063315 -2.185684
C -0.272829 0.661281 0.275404
C -1.414071 0.227681 0.970213
C -0.243848 0.526399 -1.143771
C -2.525718 -0.347712 0.294238
C -1.322167 -0.042844 -1.837002
C -2.472828 -0.489980 -1.136220
C -3.751794 -0.806649 0.989502
H 3.254498 1.463254 -0.502201
H 1.929028 -0.664864 1.110971
H 2.870001 0.692260 1.795479
H 1.155467 2.259958 0.586893
H 5.589033 0.281446 0.281183
H 4.670542 -0.955373 1.197744
H 5.737098 -1.450812 -0.145113
H 2.218190 -1.760467 -1.597803
H 2.806612 -2.309365 0.000880
H 3.790780 -2.616090 -1.451261
H 4.867704 0.928043 -2.112467
H 5.125116 -0.778483 -2.573536
H 3.550459 0.012068 -2.912518
H -1.408485 0.358937 2.056624
H 0.650298 0.849673 -1.685884
H 1.304234 1.712215 2.950068
H -1.308429 -0.154415 -2.925052
H -4.240548 -1.300475 -1.172354
H -3.137679 -0.234706 2.921039
H -4.721620 -0.989262 2.794214


