%chk=000012936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012936

0 1
 O  -0.2660000       1.846000      -1.136600    
 O   -2.332200      -1.496200       1.355400    
 O    2.228600      -1.146400       1.409700    
 N   -1.346800      0.1389000      1.0800000E-02
 N    1.033200      0.3294000      5.0500002E-02
 C   -2.623800      0.7296000     -0.3096000    
 C    2.207300       1.119000     -0.2332000    
 C   -3.482500     -0.2433000      -1.122000    
 C   -3.343200       1.176500      0.9653000    
 C    2.819100       1.664300       1.059900    
 C    3.225800      0.2990000      -1.028700    
 C   -4.859400      0.3413000      -1.425800    
 C   -4.721200       1.757900      0.6595000    
 C    4.094100       2.458200      0.7874000    
 C    4.501100       1.093700      -1.297600    
 C   -5.574000      0.7881000     -0.1535000    
 C    5.107100       1.639500     -7.7000000E-03
 C  -1.4900000E-02  -1.719300      0.8697000    
 C  -0.1978000      0.8367000     -0.4265000    
 C   -1.343700      -1.017300      0.7975000    
 C    1.190800     -0.8198000      0.8318000    
 C   7.9200000E-02  -2.728800     -0.2720000    
 C    1.355400      -3.507000     -0.2014000    
 C    2.263800      -3.539900      -1.182900    
 H   -2.486800       1.624400     -0.9288000    
 H    1.946700       1.986300     -0.8515000    
 H   -2.975700     -0.4827000      -2.065400    
 H   -3.630100      -1.198800     -0.6085000    
 H   -3.491200      0.3727000       1.689900    
 H   -2.739900       1.935400       1.479700    
 H    3.075300      0.8866000       1.783100    
 H    2.092200       2.314100       1.563700    
 H    2.785100     -1.1800000E-02  -1.984300    
 H    3.511900     -0.6233000     -0.5134000    
 H   -5.469400     -0.4030000      -1.950000    
 H   -4.750800       1.197700      -2.102800    
 H   -4.605200       2.695800      0.1023000    
 H   -5.234400       2.006400       1.595400    
 H    4.540500       2.778800       1.735600    
 H    3.844000       3.369300      0.2298000    
 H    4.275600       1.926300      -1.975200    
 H    5.232300      0.4571000      -1.808700    
 H   -6.526800       1.262900     -0.4129000    
 H   -5.810500     -9.0700001E-02  0.4592000    
 H    5.979100       2.259900     -0.2436000    
 H    5.465100      0.8053000      0.6081000    
 H   1.0600000E-02  -2.236900       1.839000    
 H  -1.1000000E-02  -2.222000      -1.242000    
 H  -0.7613000      -3.432200     -0.2166000    
 H    1.537800      -4.093100      0.6957000    
 H    3.166700      -4.130800      -1.075700    
 H    2.127400      -2.980300      -2.101600    


%chk=000012936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012936

0 1
O -0.266055 1.748662 -1.023121
O -2.366916 -1.746896 1.280776
O 2.287504 -1.256656 1.491244
N -1.360168 0.007772 0.095518
N 1.077398 0.213381 0.122106
C -2.683852 0.661147 -0.228763
C 2.284202 1.069777 -0.182867
C -3.589310 -0.254835 -1.085694
C -3.400836 1.168293 1.046958
C 2.824266 1.777512 1.084707
C 3.384914 0.271464 -0.921199
C -4.886469 0.502903 -1.464382
C -4.701127 1.913255 0.656101
C 3.998776 2.711990 0.701458
C 4.553517 1.217956 -1.292880
C -5.624978 1.019972 -0.205931
C 5.114237 1.939279 -0.043533
C 0.023696 -1.897507 0.885104
C -0.183911 0.702286 -0.324125
C -1.329774 -1.208078 0.806734
C 1.218421 -0.961115 0.894661
C 0.129726 -2.909959 -0.325089
C 1.380673 -3.758090 -0.278006
C 2.239440 -3.918591 -1.314893
H -2.406055 1.538304 -0.840144
H 1.897719 1.843881 -0.869656
H -3.045559 -0.564296 -1.999402
H -3.847556 -1.167065 -0.519010
H -3.642001 0.312293 1.702140
H -2.726542 1.844489 1.607364
H 3.167135 1.020475 1.812262
H 2.011355 2.360427 1.559330
H 2.959884 -0.189695 -1.833986
H 3.757170 -0.543625 -0.275890
H -5.546577 -0.166081 -2.048940
H -4.638261 1.362264 -2.121425
H -4.446273 2.831585 0.087169
H -5.228421 2.240357 1.572444
H 4.404455 3.188943 1.614005
H 3.624618 3.529959 0.051132
H 4.202134 1.974980 -2.024568
H 5.352690 0.637393 -1.792106
H -6.531227 1.582994 -0.501403
H -5.964625 0.154709 0.399500
H 5.926871 2.631755 -0.336414
H 5.558697 1.189084 0.641720
H 0.050163 -2.485793 1.817452
H 0.073271 -2.358732 -1.282615
H -0.769515 -3.554437 -0.255813
H 1.572872 -4.280989 0.670345
H 3.117560 -4.568255 -1.234457
H 2.089845 -3.405347 -2.273419


