%chk=000004442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004442

0 1
 O   0.6676000       1.120900     -0.3932000    
 N    4.556400      0.6661000      -1.104100    
 N   -2.981500      -1.556700     -3.9900001E-02
 N    4.676600      0.7379000       1.125000    
 C    1.273200      -1.157100     -0.5181000    
 C    1.726700      -1.627100      0.8863000    
 C    2.442300     -0.7247000      -1.435000    
 C    2.594500     -0.5973000       1.644600    
 C    3.482000     -3.2000002E-02 -0.6389000    
 C    3.579700      2.1700000E-02  0.7313000    
 C   0.2716000     -4.5899998E-02 -0.3758000    
 C   -1.155000     -0.3688000     -0.2201000    
 C   -2.213800      0.5377000     -7.6099999E-02
 C   -3.369400     -0.2380000      3.7400000E-02
 C   -1.624200      -1.641100     -0.1977000    
 C    5.245400       1.110200     -4.1000000E-03
 C   -2.331400       1.941000     -2.7899999E-02
 C   -4.642100      0.3217000      0.1974000    
 C   -3.866400      -2.699200      3.4499999E-02
 C   -3.598000       2.514900      0.1319000    
 C   -4.734200       1.715700      0.2426000    
 H   0.7961000      -1.993600      -1.040300    
 H    2.313500      -2.547100      0.7594000    
 H   0.8655000      -1.892100       1.510900    
 H    2.093300     -9.0899996E-02  -2.258300    
 H    2.893300      -1.620000      -1.881500    
 H    3.102400      -1.089000       2.481400    
 H    1.954000      0.1865000       2.065300    
 H    4.803200      0.8262000      -2.071900    
 H   -1.144800      -2.607900     -0.2690000    
 H    6.148000       1.697400     -9.6299998E-02
 H   -1.461600       2.585500     -0.1117000    
 H   -5.530500     -0.2948000      0.2842000    
 H   -4.584900      -2.632700     -0.7864000    
 H   -3.286000      -3.621100     -5.5799998E-02
 H   -4.377400      -2.677200       1.000400    
 H   -3.695000       3.596700      0.1699000    
 H   -5.708200       2.182500      0.3660000    


%chk=000004442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004442

0 1
O 0.608964 1.167899 -0.975046
N 4.710023 0.716133 -0.902929
N -2.995257 -1.597817 0.080157
N 4.527649 0.764091 1.354131
C 1.342152 -1.167959 -0.784756
C 1.679436 -1.698903 0.654531
C 2.622997 -0.704902 -1.542349
C 2.346339 -0.630282 1.560325
C 3.560802 -0.022603 -0.588023
C 3.468420 0.020055 0.802408
C 0.286052 -0.038795 -0.727032
C -1.098602 -0.389691 -0.378739
C -2.199705 0.545494 -0.162109
C -3.368171 -0.236881 0.126782
C -1.641564 -1.679612 -0.219047
C 5.257570 1.171981 0.297497
C -2.303836 1.959387 -0.183140
C -4.627238 0.340166 0.396694
C -3.904599 -2.722964 0.310572
C -3.557962 2.544724 0.086335
C -4.704942 1.748236 0.372447
H 0.895770 -2.012152 -1.349407
H 2.369468 -2.558344 0.541242
H 0.758206 -2.073460 1.136849
H 2.324796 -0.017310 -2.357056
H 3.106941 -1.588145 -2.008319
H 2.722954 -1.099704 2.488080
H 1.599442 0.129104 1.867700
H 5.062750 0.909320 -1.839211
H -1.158342 -2.651119 -0.310684
H 6.159909 1.777069 0.346190
H -1.421026 2.562600 -0.408336
H -5.510518 -0.268671 0.617065
H -4.729804 -2.716423 -0.424485
H -3.351724 -3.669942 0.208316
H -4.335826 -2.676119 1.327010
H -3.657209 3.635744 0.075566
H -5.663416 2.238098 0.577173


