%chk=000004811.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004811

0 1
 O    3.134400      0.3061000     -0.8004000    
 O    3.270800     -0.4793000       1.383800    
 N   -3.251000     -0.7820000       1.007100    
 N   -2.217100       1.384000      2.4000000E-02
 N    5.119800     -0.5338000     -1.6400000E-02
 C   -1.722600     -0.8247000     -0.8383000    
 C   -2.831700      5.6499999E-02 -0.1433000    
 C   -1.727500      -2.153000     -7.5800002E-02
 C  -0.4850000      2.3000001E-03 -0.6160000    
 C   -3.088600      -2.174700      0.5941000    
 C  -0.8470000       1.261800     -0.1224000    
 C   -2.001700      -1.016500      -2.332300    
 C   -4.607900     -0.5001000       1.453500    
 C   0.8390000     -0.3397000     -0.8516000    
 C   -2.883500       2.493000      0.6556000    
 C   0.1365000       2.204700      0.1398000    
 C    1.824500      0.6080000     -0.5817000    
 C    1.475400       1.872600     -8.9299999E-02
 C    3.804200     -0.2635000      0.2994000    
 C    6.059000      -1.121600      0.9102000    
 H   -3.681600      0.1608000     -0.8332000    
 H  -0.9400000      -2.185100      0.6886000    
 H   -1.586300      -3.021800     -0.7275000    
 H   -3.862100      -2.482400     -0.1210000    
 H   -3.102700      -2.861000       1.446600    
 H   -1.206800      -1.599200      -2.811700    
 H   -2.947200      -1.546400      -2.493000    
 H   -2.064900     -5.5599999E-02  -2.856100    
 H   -4.693700      0.5306000       1.810600    
 H   -4.872700      -1.146200       2.297800    
 H   -5.348600     -0.6543000      0.6608000    
 H    1.099600      -1.319700      -1.238300    
 H   -2.707000       2.487800       1.736000    
 H   -3.963600       2.443500      0.4836000    
 H   -2.537700       3.448200      0.2469000    
 H  -0.1117000       3.190700      0.5198000    
 H    2.249000       2.608300      0.1167000    
 H    5.445300     -0.3079000     -0.9513000    
 H    6.895600     -0.4294000       1.032700    
 H    6.424100      -2.056600      0.4783000    
 H    5.594300      -1.317200       1.879300    


%chk=000004811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004811

0 1
O 3.303499 0.707647 -0.240357
O 3.431701 -1.579907 0.428718
N -3.699619 -0.584037 0.723303
N -2.258160 1.392294 0.177065
N 5.311065 -0.319907 -0.212602
C -1.593315 -0.832833 -0.524238
C -2.840636 0.104397 -0.273935
C -1.725244 -1.901411 0.619544
C -0.399103 0.089058 -0.297978
C -3.239456 -1.988955 0.875168
C -0.862162 1.350801 0.182272
C -1.625275 -1.488543 -1.922265
C -5.153080 -0.424938 0.560400
C 0.966930 -0.180604 -0.435698
C -3.085511 2.487248 0.654966
C 0.063385 2.353713 0.560564
C 1.885985 0.834835 -0.064639
C 1.446160 2.079149 0.428116
C 3.970552 -0.516279 0.036422
C 6.298781 -1.385528 -0.037113
H -3.425837 0.291483 -1.207840
H -1.209726 -1.540218 1.525768
H -1.281678 -2.869506 0.329748
H -3.729748 -2.669097 0.133705
H -3.478914 -2.369735 1.885447
H -0.732896 -2.122067 -2.076714
H -2.520144 -2.127856 -2.042178
H -1.638972 -0.722918 -2.718688
H -5.425662 0.644192 0.533055
H -5.672801 -0.877821 1.424045
H -5.549603 -0.907706 -0.368352
H 1.326227 -1.150446 -0.787690
H -3.440468 2.328194 1.694354
H -3.974206 2.604818 0.003545
H -2.521411 3.435737 0.620707
H -0.262845 3.321999 0.952846
H 2.192285 2.830590 0.705265
H 5.596017 0.610295 -0.519070
H 7.050551 -1.116790 0.728296
H 6.819586 -1.612933 -0.986038
H 5.765048 -2.289217 0.297676


