%chk=000096032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096032

0 1
 O  -0.4646000       2.648100      9.9999997E-05
 O   -4.135600     -0.1217000     -2.0000001E-03
 N  -0.1042000      0.3419000      1.1000000E-03
 N   -2.286600       1.255100     -3.0000001E-04
 C    1.335600      0.4389000      1.7000000E-03
 C    1.921000     -0.1976000       1.264900    
 C    1.916600     -0.1972000      -1.263300    
 C    3.446800     -0.1544000       1.260700    
 C    3.442500     -0.1557000      -1.264000    
 C    4.023900     -0.7874000     -2.2000000E-03
 C  -0.6770000     -0.9204000      1.4000000E-03
 C  -0.9086000       1.498000      3.9999999E-04
 C   -1.996000      -1.149300      7.9999998E-04
 C   -2.915700      1.9400001E-02 -5.0000002E-04
 C   -2.598200      -2.517600      1.1000000E-03
 H    1.621500       1.498500      1.5000000E-03
 H    1.614900      -1.244400       1.375200    
 H    1.545800      0.3259000       2.153300    
 H    1.539400      0.3269000      -2.150400    
 H    1.609900      -1.243900      -1.373400    
 H    3.833700     -0.6746000       2.144200    
 H    3.782100      0.8877000       1.332300    
 H    3.778500      0.8860000      -1.338100    
 H    3.826000     -0.6773000      -2.148300    
 H    5.114300     -0.6788000     -4.1999999E-03
 H    3.809500      -1.863200     -1.4000000E-03
 H   7.9999998E-04  -1.766800      2.4999999E-03
 H   -2.890100       2.072800     -1.1000000E-03
 H   -3.221900      -2.660700      0.8896000    
 H   -1.833600      -3.301600      2.0000001E-03
 H   -3.220700      -2.661600     -0.8880000    


%chk=000096032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096032

0 1
O -0.357125 2.600714 -0.000703
O -4.250862 0.014931 0.001559
N -0.128664 0.248414 0.000219
N -2.268506 1.250408 0.000453
C 1.365611 0.353060 -0.000428
C 1.980872 -0.259834 1.281456
C 1.979608 -0.259824 -1.282928
C 3.519418 -0.087641 1.274894
C 3.518157 -0.087709 -1.277864
C 4.150133 -0.693317 -0.001781
C -0.758741 -0.997188 0.000954
C -0.878622 1.449594 -0.000393
C -2.123810 -1.173854 0.001437
C -2.983919 0.017971 0.001407
C -2.788851 -2.528005 0.002178
H 1.565067 1.440885 -0.000531
H 1.738213 -1.341129 1.340124
H 1.538438 0.224305 2.172077
H 1.536355 0.224387 -2.173104
H 1.736747 -1.341083 -1.341375
H 3.950680 -0.557758 2.178992
H 3.766149 0.992380 1.327824
H 3.764855 0.992303 -1.331088
H 3.948534 -0.557881 -2.182356
H 5.243773 -0.524633 -0.002330
H 3.994736 -1.792318 -0.001670
H -0.084845 -1.857889 0.001157
H -2.833128 2.105962 0.000296
H -3.441905 -2.642762 0.886382
H -2.045801 -3.344085 0.002198
H -3.442565 -2.643405 -0.881457


