%chk=000096349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096349

0 1
 O    1.549500     -0.8858000       1.072500    
 N   0.2598000     -0.3786000     -0.7895000    
 N    2.273900      0.6952000     -0.4660000    
 C   -1.913300     -0.6389000      0.3382000    
 C  -0.8197000      -1.283700     -0.5068000    
 C   -2.560800      0.5622000     -0.3550000    
 C   -3.686600       1.146700      0.4839000    
 C    1.379500     -0.2472000      3.4699999E-02
 C    3.517700       1.030100      0.1880000    
 H   -1.495800     -0.3199000       1.301200    
 H   -2.680000      -1.392600      0.5544000    
 H   -1.225800      -1.617600      -1.467500    
 H  -0.4239000      -2.162800      1.3300000E-02
 H   -2.959900      0.2582000      -1.329700    
 H   -1.815500       1.344400     -0.5380000    
 H   0.2022000      0.1958000      -1.624800    
 H   -3.314900       1.488800       1.455100    
 H   -4.135900       2.003000     -2.8800000E-02
 H   -4.472300      0.4048000      0.6580000    
 H    2.062200       1.144000      -1.351600    
 H    3.478800      0.7808000       1.251200    
 H    3.696400       2.100400      6.1200000E-02
 H    4.320000      0.4657000     -0.2935000    


%chk=000096349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096349

0 1
O 1.748041 -1.013362 0.917538
N 0.285211 -0.261931 -0.751998
N 2.398074 0.743975 -0.490686
C -1.950644 -0.547362 0.398952
C -0.786266 -1.199965 -0.384096
C -2.722788 0.526333 -0.400903
C -3.906359 1.123557 0.391351
C 1.491744 -0.225192 -0.046901
C 3.712408 0.896658 0.136701
H -1.549512 -0.105707 1.332013
H -2.654292 -1.350407 0.701414
H -1.176223 -1.681030 -1.304047
H -0.311213 -1.980285 0.235012
H -3.096496 0.080524 -1.346463
H -2.029657 1.344441 -0.686824
H 0.107672 0.409574 -1.499122
H -3.554680 1.598135 1.326578
H -4.444887 1.889674 -0.196366
H -4.632993 0.336781 0.668750
H 2.158760 1.344699 -1.279462
H 3.768550 0.158509 0.953172
H 3.847048 1.908959 0.563475
H 4.534101 0.696422 -0.577589


