%chk=000049301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049301

0 1
 O   5.4900002E-02  -1.565200      -2.188000    
 O   0.1464000      0.7957000       1.870100    
 O    3.443200      -2.223700      0.8357000    
 N    1.799200      -1.819500     -0.7197000    
 N    1.844400     -0.6406000       1.307800    
 C   0.3041000      0.1070000     -0.4496000    
 C   -1.208500      0.3494000     -0.5565000    
 C   -2.003500     -0.8271000      1.4900000E-02
 C    1.054100       1.261400      -1.137900    
 C   -3.527100     -0.6041000     -2.6000000E-03
 C   0.6696000      -1.171600      -1.196900    
 C   0.7193000      0.1169000       1.018200    
 C   0.8231000       2.577500     -0.4503000    
 C   -3.874300      0.6679000      0.7751000    
 C   -4.298000      -1.790200      0.5788000    
 C    2.442400      -1.592900      0.4912000    
 C    1.798600       2.975700      0.6196000    
 C  -0.1879000       3.383500     -0.8101000    
 H   -1.483200       1.250000     -4.0000002E-03
 H   -1.507800      0.5053000      -1.601100    
 H   -1.800600      -1.744200     -0.5481000    
 H   -1.693400      -1.029300       1.047500    
 H   0.7474000       1.330600      -2.191400    
 H    2.134500       1.064300      -1.175000    
 H   -3.851700     -0.4711000      -1.042400    
 H   -3.563000       1.570000      0.2402000    
 H   -3.413000      0.6717000       1.768500    
 H   -4.958500      0.7518000      0.9117000    
 H   -4.035800      -1.956600       1.629100    
 H   -5.378500      -1.622100      0.5198000    
 H   -4.071000      -2.706500      2.4000000E-02
 H    2.147300      -2.594900      -1.276700    
 H    2.226200     -0.5465000       2.244800    
 H    1.374100       3.732700       1.288300    
 H    2.145300       2.151400       1.241500    
 H    2.688600       3.408700      0.1489000    
 H  -0.8768000       3.112600      -1.603200    
 H  -0.3430000       4.341400     -0.3248000    


%chk=000049301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049301

0 1
O 0.154158 -1.326156 -2.351393
O 0.335275 0.677209 2.032905
O 3.391603 -2.568161 0.743496
N 1.775245 -1.884768 -0.802919
N 1.912996 -0.846993 1.312992
C 0.324975 0.122947 -0.368845
C -1.209844 0.351976 -0.397068
C -2.033928 -0.815840 0.190683
C 1.093318 1.340944 -1.086347
C -3.568277 -0.621675 0.046560
C 0.701684 -1.085878 -1.245334
C 0.817008 0.012631 1.080186
C 0.873330 2.736159 -0.510306
C -4.077521 0.617289 0.822666
C -4.311366 -1.895980 0.513212
C 2.435664 -1.814226 0.436632
C 1.829478 3.211559 0.569405
C -0.104237 3.540164 -1.010110
H -1.410353 1.281499 0.160446
H -1.503289 0.513197 -1.451705
H -1.757005 -1.759227 -0.322903
H -1.794067 -0.940602 1.266622
H 0.739250 1.308998 -2.132984
H 2.176902 1.107015 -1.092470
H -3.788596 -0.470485 -1.032229
H -3.641860 1.557746 0.440121
H -3.818589 0.537213 1.896190
H -5.177266 0.703018 0.744181
H -4.117307 -2.090559 1.586057
H -5.404470 -1.791239 0.382969
H -3.984134 -2.785378 -0.057347
H 2.095422 -2.625993 -1.434971
H 2.311931 -0.844471 2.257728
H 1.637208 4.264055 0.838132
H 1.735709 2.607382 1.489570
H 2.879910 3.131687 0.226178
H -0.774302 3.207285 -1.811515
H -0.257554 4.557056 -0.631086


