%chk=000023844.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023844

0 1
 O  -0.3311000       1.924800      -1.143100    
 O    5.008700      -1.064200      6.0400002E-02
 N   -2.590300      0.6295000      8.2500003E-02
 C   -3.613200     -0.4203000      0.1332000    
 C   -1.259300      4.6599999E-02  8.8200003E-02
 C  -0.1848000       1.139800      3.9500002E-02
 C   -4.994700      0.2424000      0.1141000    
 C   -3.446400      -1.323700      -1.093300    
 C   -3.439000      -1.238600       1.418000    
 C    1.207800      0.5485000      4.5200001E-02
 C    2.091900      0.9120000       1.046000    
 C    1.567400     -0.3429000     -0.9509000    
 C    3.376000      0.3670000       1.051000    
 C    2.851300     -0.8879000     -0.9459000    
 C    3.755700     -0.5330000      5.5199999E-02
 H   -2.694600       1.256200      0.8802000    
 H   -1.064200     -0.5524000      0.9832000    
 H   -1.122900     -0.5855000     -0.7918000    
 H  -0.3081000       1.817400      0.8938000    
 H   -5.794100     -0.5070000      0.1396000    
 H   -5.133900      0.9020000      0.9787000    
 H   -5.135600      0.8444000     -0.7913000    
 H   -2.594500      -2.008500      -1.023400    
 H   -3.353600     -0.7419000      -2.018400    
 H   -4.330000      -1.963600      -1.211900    
 H   -4.314000      -1.881400       1.576700    
 H   -2.575900      -1.911900       1.395900    
 H   -3.355500     -0.5949000       2.301700    
 H    1.808200       1.611500       1.826700    
 H   0.8860000     -0.6189000      -1.749600    
 H   -1.242100       2.264800      -1.154700    
 H    4.076000      0.6473000       1.833300    
 H    3.136300      -1.584800      -1.729600    
 H    5.099100      -1.665500     -0.6988000    


%chk=000023844-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023844

0 1
O -0.646494 1.384610 -1.404423
O 5.156971 -1.074802 -0.012875
N -2.545724 0.587450 0.288247
C -3.651069 -0.430746 0.196712
C -1.170104 0.137052 0.620720
C -0.165619 1.134005 -0.050231
C -4.958075 0.369036 -0.026144
C -3.400218 -1.351399 -1.022755
C -3.768468 -1.278155 1.496070
C 1.248756 0.578336 -0.076247
C 2.047643 0.595792 1.095972
C 1.780933 0.004563 -1.254179
C 3.342277 0.038820 1.104688
C 3.078287 -0.552834 -1.262641
C 3.855082 -0.538657 -0.079339
H -2.835999 1.373821 0.888904
H -0.965379 0.061053 1.709707
H -1.007786 -0.859930 0.176864
H -0.174838 2.083113 0.536069
H -5.818792 -0.314989 -0.129109
H -5.164458 1.043574 0.827912
H -4.884833 0.981430 -0.942446
H -2.484345 -1.957706 -0.904857
H -3.296724 -0.750180 -1.943198
H -4.246768 -2.049945 -1.150463
H -4.593582 -2.009814 1.415781
H -2.837288 -1.841067 1.690551
H -3.969514 -0.630989 2.370989
H 1.662431 1.059104 2.013412
H 1.170734 0.024717 -2.161615
H -1.648425 1.288292 -1.296265
H 3.966670 0.050299 2.002969
H 3.484005 -0.986719 -2.186704
H 5.427313 -1.439832 -0.891678


