%chk=000006322.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006322

0 1
 O   -2.302700      -1.953500     -0.2040000    
 O   -3.443600     -0.5315000       1.146500    
 N   -2.891700       1.602100     -0.3339000    
 N    1.964200     -0.2357000      4.9699999E-02
 N    3.918100      -1.416700     -0.3497000    
 N    4.136800      0.7627000      0.2805000    
 C  -0.7698000      0.4929000     -0.8697000    
 C  -0.1713000      0.8748000      0.4921000    
 C   -2.298800      0.3560000     -0.8131000    
 C    1.344700       1.032600      0.4373000    
 C   -2.745900     -0.7207000      0.1586000    
 C    3.259900     -0.2630000      5.5999998E-03
 H  -0.3371000     -0.4537000      -1.214600    
 H  -0.4987000       1.254000      -1.612500    
 H  -0.5946000       1.821100      0.8474000    
 H  -0.4186000      0.1088000       1.236900    
 H   -2.701900      0.1202000      -1.803800    
 H    1.600800       1.820300     -0.2817000    
 H    1.694900       1.340100       1.430100    
 H   -3.908000       1.542100     -0.3876000    
 H   -2.621200       2.368500     -0.9492000    
 H   -2.602500      -2.647700      0.4208000    
 H    3.406500      -2.261100     -0.5818000    
 H    4.930500      -1.458900     -0.3900000    
 H    5.139500      0.6251000      0.2127000    
 H    3.820800       1.685700      0.5561000    


%chk=000006322-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006322

0 1
O -2.351668 -2.028157 -0.615203
O -3.027388 -0.755255 1.205367
N -3.024602 1.611560 -0.500762
N 1.967023 -0.119840 -0.027914
N 3.794503 -1.598983 -0.027649
N 4.232070 0.674037 0.366577
C -0.765579 0.623422 -0.938458
C -0.145386 1.086748 0.396060
C -2.304826 0.391542 -0.892637
C 1.391106 1.203084 0.289513
C -2.610858 -0.807186 0.025855
C 3.259944 -0.304606 0.094480
H -0.258451 -0.305803 -1.254000
H -0.586461 1.392722 -1.714061
H -0.555393 2.074648 0.688112
H -0.384225 0.368227 1.203372
H -2.622560 0.105713 -1.911961
H 1.630319 1.946857 -0.508014
H 1.787615 1.616884 1.248541
H -2.843825 1.882296 0.472617
H -4.033538 1.565545 -0.680410
H -2.512478 -2.776343 0.022507
H 3.099008 -2.329407 -0.173473
H 4.703148 -1.720485 -0.473548
H 5.114120 0.415139 0.803030
H 3.958684 1.652140 0.384760


