%chk=000049408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049408

0 1
 O  -0.8751000      0.3197000      -2.274700    
 N    3.210000     -0.1075000      0.9532000    
 C    3.049400     -9.4499998E-02 -0.5193000    
 C    1.625500     -0.4600000     -0.9627000    
 C  -0.8089000      0.1575000     -0.8373000    
 C    3.383500       1.301900      -1.081800    
 C   0.6255000      0.5332000     -0.4029000    
 C    4.778300       1.759900     -0.6757000    
 C    4.577600      0.2792000       1.342800    
 C    4.940100       1.672400      0.8338000    
 C   -1.807100       1.199300     -0.2922000    
 C   -1.047000      -1.336200     -0.5649000    
 C   -2.673500       1.056500      0.8115000    
 C   -1.301300      -1.850600      0.7197000    
 C    2.893700      -1.412400       1.541300    
 C   -2.788800     -0.1527000       1.707100    
 C   -1.512900     -0.9507000       1.901900    
 C   -1.821800       2.460000     -0.9554000    
 C  -0.9029000      -2.276700      -1.613700    
 C   -3.558600       2.115000       1.141200    
 C   -1.421400      -3.241800      0.9205000    
 C   -2.683500       3.498000     -0.5998000    
 C   -1.027800      -3.652500      -1.405400    
 C   -3.566000       3.319900      0.4471000    
 C   -1.287000      -4.136900     -0.1345000    
 H    3.741300     -0.8225000     -0.9661000    
 H    1.595600     -0.4609000      -2.059700    
 H    1.436900      -1.490400     -0.6552000    
 H    2.700900       2.073300     -0.7140000    
 H    3.308700       1.297500      -2.175800    
 H   0.6956000      0.5859000      0.6875000    
 H   0.8277000       1.541500     -0.7737000    
 H    4.952600       2.787200      -1.014500    
 H    5.529300       1.127600      -1.165000    
 H    5.307700     -0.4511000      0.9692000    
 H    4.662100      0.2915000       2.436500    
 H    5.973500       1.910500       1.109700    
 H    4.299200       2.420500       1.317400    
 H    3.475000      -2.221700       1.085400    
 H    1.829500      -1.648100       1.454000    
 H    3.100500      -1.410900       2.618200    
 H   -3.091100      0.1889000       2.706900    
 H   -3.604000     -0.7871000       1.334600    
 H   -1.621100      -1.558300       2.809800    
 H  -0.6428000     -0.3136000       2.082200    
 H  -0.1228000      0.8515000      -2.583000    
 H   -1.142500       2.658600      -1.782900    
 H  -0.6728000      -1.958000      -2.628100    
 H   -4.254000       2.001800       1.971900    
 H   -1.630900      -3.636700       1.912300    
 H   -2.660700       4.436300      -1.145300    
 H  -0.9121000      -4.339700      -2.238300    
 H   -4.249400       4.113000      0.7331000    
 H   -1.383500      -5.204300      3.7400000E-02


%chk=000049408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049408

0 1
O -0.877077 0.082705 -2.562138
N 3.082323 -0.291827 0.878529
C 3.128015 0.087599 -0.570892
C 1.775546 -0.178250 -1.286179
C -0.820637 0.108316 -1.075166
C 3.550283 1.571401 -0.729155
C 0.602114 0.654294 -0.712376
C 4.884253 1.884769 -0.022744
C 4.366057 0.006676 1.576716
C 4.775117 1.484550 1.463258
C -1.894761 1.104972 -0.535661
C -1.070703 -1.353393 -0.638382
C -2.295479 1.215503 0.832818
C -1.038405 -1.753057 0.731628
C 2.745996 -1.722731 1.082645
C -1.961609 0.268554 1.994356
C -0.823609 -0.767410 1.868284
C -2.454202 2.016486 -1.473899
C -1.328282 -2.332967 -1.630682
C -3.187568 2.265732 1.192274
C -1.251205 -3.118410 1.052983
C -3.347188 3.039613 -1.099777
C -1.545973 -3.686619 -1.293120
C -3.708608 3.178497 0.257358
C -1.503097 -4.088007 0.058918
H 3.904273 -0.540747 -1.090509
H 1.925037 0.047120 -2.360354
H 1.523349 -1.252500 -1.241263
H 2.761980 2.218678 -0.299546
H 3.616151 1.801136 -1.810944
H 0.728037 0.738798 0.377376
H 0.639477 1.696284 -1.094211
H 5.134702 2.957771 -0.126148
H 5.706343 1.311675 -0.499655
H 5.196509 -0.627504 1.163216
H 4.242706 -0.273364 2.640168
H 5.737772 1.638109 1.987940
H 4.014909 2.114462 1.964885
H 3.468566 -2.411472 0.575349
H 1.735482 -1.954056 0.713738
H 2.766638 -1.946423 2.164587
H -1.761615 0.889746 2.890182
H -2.892552 -0.293666 2.218185
H -0.790404 -1.330960 2.820166
H 0.154082 -0.260109 1.790878
H -0.339175 0.841751 -2.899651
H -2.208844 1.891162 -2.531524
H -1.350660 -2.013705 -2.674134
H -3.486910 2.350504 2.245311
H -1.219904 -3.418957 2.107845
H -3.756623 3.714149 -1.860088
H -1.745090 -4.419143 -2.083549
H -4.392061 3.972115 0.579261
H -1.665078 -5.135552 0.337194


