%chk=000095174.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095174

0 1
 O   -1.762500      -1.597000      -1.023200    
 O   -3.450400      -1.186400      0.4444000    
 N   -3.246000       1.491000     -0.2404000    
 N    4.258600     -0.6348000     -0.4005000    
 C   -1.063800       1.010500      0.7654000    
 C   -2.051700      0.6516000     -0.3530000    
 C   0.3502000      0.5733000      0.4560000    
 C   0.7703000     -0.6868000      0.8471000    
 C    1.196000       1.442300     -0.2125000    
 C   -2.516100     -0.7865000     -0.2358000    
 C    2.075000      -1.089700      0.5617000    
 C    2.500400       1.039300     -0.4982000    
 C    2.940000     -0.2267000     -0.1109000    
 H   -1.379800      0.5768000       1.724100    
 H   -1.052500       2.097800      0.9272000    
 H   -1.621900      0.8203000      -1.347000    
 H   0.1057000      -1.365200       1.373900    
 H   0.8620000       2.428900     -0.5203000    
 H    2.405600      -2.078700      0.8689000    
 H    3.164700       1.720500      -1.023800    
 H   -3.692900       1.346400      0.6643000    
 H   -3.927200       1.224600     -0.9500000    
 H    4.887000     -8.8000000E-03 -0.8862000    
 H    4.578300      -1.551700     -0.1180000    
 H   -2.053000      -2.532300     -0.9693000    


%chk=000095174-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095174

0 1
O -2.329287 -1.304485 -1.675843
O -2.401231 -1.583972 0.629781
N -3.411008 1.336960 -0.070823
N 4.295748 -0.735947 -0.317010
C -1.083409 1.119730 0.777271
C -2.097615 0.703451 -0.319659
C 0.333575 0.634892 0.508816
C 0.816335 -0.585775 1.047835
C 1.215171 1.383420 -0.313527
C -2.256079 -0.826144 -0.357997
C 2.120947 -1.044950 0.779840
C 2.522363 0.939846 -0.593480
C 2.998488 -0.288314 -0.049151
H -1.446537 0.727926 1.747170
H -1.122793 2.223155 0.825188
H -1.733928 1.035814 -1.305990
H 0.156833 -1.186423 1.685937
H 0.875279 2.337861 -0.736513
H 2.467026 -1.991246 1.214542
H 3.183144 1.544222 -1.227860
H -3.824227 1.079478 0.832532
H -4.077552 1.253034 -0.845041
H 4.922034 -0.195888 -0.906007
H 4.635556 -1.608797 0.074756
H -2.482835 -2.289148 -1.660868


