%chk=000024313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024313

0 1
 O    2.042900       1.931700      0.1073000    
 O   -1.806000     -6.3400000E-02  0.8981000    
 O    3.741600       1.500500       1.596200    
 O  -0.8302000     -0.4503000       2.941000    
 N   0.4217000      0.1677000       1.087500    
 N    1.506500       4.126300      -2.433000    
 C    1.723400      0.1761000       1.706600    
 C    2.381800      -1.210000       1.641400    
 C    2.682900      -1.701300      0.2435000    
 C    2.627000       1.264100       1.141500    
 C    3.912900      -1.412300     -0.3477000    
 C    1.730400      -2.443200     -0.4553000    
 C  -0.7455000     -0.1446000       1.756000    
 C    4.190300      -1.865300      -1.637500    
 C    2.008000      -2.896200      -1.745100    
 C   -3.088400     -0.3636000       1.460500    
 C    3.237800      -2.607200      -2.336200    
 C   -4.134800     -0.2285000      0.3936000    
 C   -4.766100      0.9982000      0.1872000    
 C   -4.476100      -1.329400     -0.3922000    
 C    2.820200       2.985700     -0.4698000    
 C   -5.738800       1.123900     -0.8046000    
 C   -5.448600      -1.203400      -1.384200    
 C   -6.079900      2.3200000E-02  -1.590400    
 C    2.087200       3.621500      -1.564500    
 H    1.571300      0.4368000       2.762000    
 H    3.318000      -1.198200       2.215800    
 H    1.742900      -1.948100       2.145000    
 H   0.3548000      0.3942000      9.9500000E-02
 H    4.666700     -0.8398000      0.1856000    
 H   0.7687000      -2.676600     -6.3000000E-03
 H    5.148200      -1.641100      -2.097500    
 H    1.266500      -3.474000      -2.289100    
 H   -3.086700      -1.384800       1.861700    
 H   -3.300300      0.3252000       2.287700    
 H    3.454000      -2.960000      -3.340300    
 H   -4.507400       1.863600      0.7914000    
 H   -3.989700      -2.289700     -0.2425000    
 H    3.046900       3.729200      0.3029000    
 H    3.761400       2.571000     -0.8485000    
 H   -6.230000       2.079000     -0.9657000    
 H   -5.714000      -2.060300      -1.996600    
 H   -6.836900      0.1212000      -2.363000    


%chk=000024313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024313

0 1
O 2.638865 1.834013 0.471533
O -1.861324 1.432947 0.874242
O 3.870934 0.547525 1.987491
O -1.285484 -0.134030 2.552879
N 0.319545 0.884921 1.185495
N 3.878175 5.063373 0.788121
C 1.446489 0.181776 1.796463
C 1.527486 -1.342872 1.396123
C 1.714307 -1.574394 -0.092776
C 2.776479 0.852935 1.476195
C 3.013475 -1.732958 -0.644620
C 0.595451 -1.613944 -0.965903
C -0.962077 0.654138 1.620436
C 3.191062 -1.918338 -2.034541
C 0.770654 -1.796938 -2.356237
C -3.317116 1.174522 1.149521
C 2.069358 -1.947072 -2.895808
C -3.855646 0.075719 0.258362
C -4.449030 0.388767 -0.990925
C -3.762766 -1.283260 0.658979
C 3.889312 2.509261 0.035237
C -4.937461 -0.636688 -1.831223
C -4.249264 -2.309383 -0.181094
C -4.837542 -1.988775 -1.427657
C 3.875818 3.918207 0.456804
H 1.328005 0.203125 2.897428
H 2.360743 -1.781784 1.973528
H 0.586591 -1.793424 1.757953
H 0.483285 1.518537 0.402099
H 3.886297 -1.725960 0.020663
H -0.416639 -1.513672 -0.555637
H 4.199451 -2.051417 -2.443081
H -0.104841 -1.828727 -3.014405
H -3.419024 0.923756 2.219286
H -3.784267 2.148005 0.934001
H 2.205060 -2.095867 -3.972984
H -4.525360 1.436984 -1.305401
H -3.301594 -1.523560 1.623696
H 4.757712 1.983947 0.475136
H 3.911206 2.432917 -1.064005
H -5.397113 -0.383974 -2.793253
H -4.175562 -3.355445 0.136642
H -5.219051 -2.785097 -2.076762


