%chk=000097873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097873

0 1
 O   -2.909300      -2.581100      0.3155000    
 O  -0.9892000      -2.295600       1.498800    
 N  -0.5481000      0.1392000      0.3793000    
 N    2.103700       1.509400       1.128700    
 N   0.8574000      -1.186400      -1.040400    
 N    4.083200      0.9391000      0.2775000    
 N    3.270100     -0.8448000      -1.160100    
 C   -2.986500      0.3134000      0.3882000    
 C   -3.076700       1.685900     -0.3108000    
 C   -1.770300     -0.5350000     -4.0000002E-03
 C   -3.100900       1.563700      -1.834900    
 C   -4.328400       2.427500      0.1671000    
 C   -1.813600      -1.875700      0.6993000    
 C   0.6974000     -0.1872000     -0.1276000    
 C    1.853300      0.4826000      0.2635000    
 C    3.097600      0.1460000     -0.2523000    
 C    3.452700       1.746900       1.103000    
 C    2.107700      -1.447700      -1.490600    
 H   -2.982300      0.4702000       1.476100    
 H   -3.906000     -0.2474000      0.1732000    
 H   -2.205800       2.290700     -2.9600000E-02
 H   -1.773900     -0.7312000      -1.082300    
 H  -0.5923000      0.8548000       1.096400    
 H   -3.262100       2.542300      -2.300300    
 H   -2.151800       1.178700      -2.219900    
 H   -3.902900      0.8961000      -2.167400    
 H   -5.240500       1.882300     -9.9100001E-02
 H   -4.313600       2.554600       1.254700    
 H   -4.386100       3.424200     -0.2833000    
 H    1.421700       2.005500       1.686900    
 H    3.907500       2.519000       1.706900    
 H   -2.954400      -3.455500      0.7577000    
 H    2.184800      -2.251100      -2.215400    


%chk=000097873-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097873

0 1
O -3.073427 -2.693003 0.903721
O -1.547713 -1.992040 2.508202
N -0.521715 -0.084943 0.833133
N 2.395502 0.927067 1.638840
N 0.376104 -0.115885 -1.364798
N 4.033848 1.228063 0.066603
N 2.683535 0.536775 -1.903245
C -2.987957 0.289782 0.402054
C -2.867961 1.425368 -0.647336
C -1.784108 -0.707239 0.409058
C -2.968844 0.884343 -2.093133
C -3.957255 2.490854 -0.377943
C -2.083051 -1.843318 1.383834
C 0.544026 0.118502 -0.027300
C 1.819677 0.580101 0.408335
C 2.855490 0.773876 -0.562197
C 3.717135 1.304257 1.367283
C 1.436930 0.102080 -2.213131
H -3.077156 0.729369 1.416660
H -3.913387 -0.287853 0.209643
H -1.874778 1.903182 -0.524612
H -1.637518 -1.114634 -0.606315
H -0.347686 -0.111666 1.841435
H -2.934808 1.716108 -2.820770
H -2.129821 0.206654 -2.329235
H -3.922537 0.341764 -2.244264
H -4.969550 2.052814 -0.476120
H -3.868213 2.916914 0.639253
H -3.880059 3.321852 -1.102720
H 1.957239 0.917542 2.558631
H 4.398341 1.623238 2.153695
H -3.268548 -3.400475 1.576750
H 1.240663 -0.106050 -3.269213


