%chk=000122592.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122592

1 1
 O   0.7764000      0.5960000     -0.1852000    
 O  -0.7807000     -7.3600002E-02   1.491100    
 O  -0.3171000     -0.5974000      -1.818700    
 N    4.437000     -9.2299998E-02  4.3699998E-02
 C    3.063300      0.3698000      0.5080000    
 C    5.045400      0.9630000     -0.8686000    
 C    4.300800      -1.403300     -0.7172000    
 C    5.338400     -0.2987000       1.252500    
 C    2.055100      0.1333000     -0.5991000    
 C    6.410400      0.4984000      -1.327000    
 C    3.695800      -2.448200      0.1946000    
 C    5.469900       1.007500       2.004800    
 C   -1.498900     -8.8999998E-03  0.2422000    
 C  -0.3055000     -6.5499999E-02 -0.7149000    
 C   -2.262800       1.314400      0.1559000    
 C   -2.453300      -1.199100      0.1180000    
 C   -3.256700       1.608000       1.089700    
 C   -3.227000      -1.355700      -1.032100    
 C   -1.964900       2.227200     -0.8559000    
 C   -2.549000      -2.127600       1.154700    
 C   -3.952900       2.814100       1.011300    
 C   -4.096700      -2.440300      -1.145500    
 C   -2.661100       3.433300     -0.9341000    
 C   -3.418600      -3.212300       1.041100    
 C   -3.655000       3.726800     -5.0000002E-04
 C   -4.192300      -3.368700     -0.1090000    
 H    2.779800     -0.1549000       1.427700    
 H    3.104300       1.440000      0.7426000    
 H    5.076600       1.931100     -0.3619000    
 H    4.396500       1.073800      -1.743400    
 H    5.302800      -1.764000     -0.9694000    
 H    3.771900      -1.254300      -1.663200    
 H    6.297900     -0.7275000      0.9536000    
 H    4.854700      -1.012700       1.926900    
 H    2.310400      0.6924000      -1.504100    
 H    1.937100     -0.9183000     -0.8637000    
 H    7.140200      0.3751000     -0.5245000    
 H    6.393500     -0.3972000      -1.951800    
 H    6.828300       1.282000      -1.972400    
 H    4.411400      -2.809800      0.9402000    
 H    2.775700      -2.170800      0.7112000    
 H    3.447800      -3.328300     -0.4118000    
 H    6.039900       1.765700       1.462200    
 H    4.520700       1.435500       2.334800    
 H    6.041800      0.8173000       2.921700    
 H  -0.4621000      0.8186000       1.711900    
 H   -3.497400      0.9119000       1.888700    
 H   -3.165300     -0.6445000      -1.851300    
 H   -1.208500       2.039600      -1.610800    
 H   -1.964600      -2.039400       2.065500    
 H   -4.725800       3.043300       1.739000    
 H   -4.698900      -2.562400      -2.041000    
 H   -2.431300       4.143400      -1.723200    
 H   -3.494000      -3.935300       1.848100    
 H   -4.197200       4.665900     -6.1600000E-02
 H   -4.869400      -4.213300     -0.1972000    


%chk=000122592-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122592

1 1
O 0.836326 1.371082 0.435484
O -1.290580 1.293084 1.928208
O 0.160816 -0.322489 -1.004555
N 4.299514 -0.225516 -0.067863
C 2.898231 0.101838 0.483190
C 5.236307 0.985465 0.197117
C 4.254273 -0.506128 -1.601525
C 4.820760 -1.505891 0.646351
C 2.175259 1.287333 -0.192465
C 6.711182 0.775874 -0.165146
C 3.210606 -1.533517 -2.057583
C 5.038652 -1.383195 2.158787
C -1.491388 0.630830 0.637665
C -0.124933 0.467176 -0.080295
C -2.448222 1.461540 -0.254149
C -2.043602 -0.777837 0.951907
C -3.555118 2.074770 0.388298
C -2.643026 -1.552471 -0.069983
C -2.288696 1.606769 -1.653766
C -1.929349 -1.306173 2.260514
C -4.481965 2.829964 -0.359872
C -3.126474 -2.847411 0.216039
C -3.219389 2.366670 -2.399629
C -2.420402 -2.601073 2.543495
C -4.316059 2.981499 -1.756822
C -3.016469 -3.376515 1.523290
H 2.287399 -0.806309 0.364419
H 3.011893 0.313542 1.557980
H 5.126922 1.228241 1.267116
H 4.818464 1.822559 -0.387102
H 5.270550 -0.839549 -1.867781
H 4.081736 0.469774 -2.086795
H 5.759940 -1.773115 0.134847
H 4.079466 -2.291606 0.427979
H 2.634770 2.262339 0.026595
H 2.058956 1.143026 -1.280574
H 7.192213 -0.022819 0.422926
H 6.871155 0.577996 -1.237864
H 7.247592 1.712581 0.068712
H 3.389579 -2.541498 -1.647643
H 2.171840 -1.231693 -1.841483
H 3.299518 -1.622333 -3.155416
H 5.787936 -0.621477 2.431078
H 4.108994 -1.190757 2.718609
H 5.425852 -2.354071 2.515725
H -0.967639 2.216446 1.767874
H -3.684462 1.947762 1.467835
H -2.748092 -1.143846 -1.080069
H -1.457389 1.121156 -2.176701
H -1.488791 -0.690601 3.048827
H -5.335481 3.295229 0.144669
H -3.599032 -3.437699 -0.576320
H -3.089035 2.473002 -3.482027
H -2.345969 -2.998815 3.561619
H -5.036766 3.567592 -2.336754
H -3.401573 -4.377637 1.745625


