%chk=000095033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095033

0 1
 O   -2.841500       2.770400     -0.3435000    
 O   -5.406500     -0.7846000       1.338500    
 N   -3.365200      -1.278400      0.3368000    
 N  -0.8695000      0.6801000      -1.148300    
 N   -4.147800       1.007500      0.5077000    
 N   -1.176900      -1.495100     -0.7685000    
 C   -2.074900      0.5692000     -0.5166000    
 C   -2.238400     -0.7711000     -0.2957000    
 C  -0.3675000     -0.5892000      -1.277400    
 C   -3.014300       1.573200     -0.1343000    
 C   -4.381800     -0.3908000      0.7700000    
 C   0.9361000     -0.8351000      -1.921900    
 C   -3.493900      -2.714700      0.5499000    
 C   -5.182300       1.937400      0.9474000    
 C    2.136400     -0.8188000     -0.9899000    
 C    3.132300      7.7699997E-02  -1.068000    
 C    4.299000      0.1289000     -0.1715000    
 C    4.234400     -0.4953000       1.064400    
 C    5.440800      0.8006000     -0.5795000    
 C    5.339700     -0.4466000       1.913800    
 C    6.546200      0.8490000      0.2698000    
 C    6.495700      0.2254000       1.516500    
 H  -0.4294000       1.536000      -1.460200    
 H   0.9092000      -1.820800      -2.403900    
 H    1.084500     -0.1149000      -2.737100    
 H   -4.429400      -2.963000       1.057500    
 H   -2.656500      -3.059400       1.164300    
 H   -3.473300      -3.221300     -0.4200000    
 H   -4.942700       2.977800      0.7164000    
 H   -5.313200       1.828300       2.028700    
 H   -6.124800       1.667100      0.4605000    
 H    2.144800      -1.614800     -0.2508000    
 H    3.096800      0.8398000      -1.843300    
 H    3.349100      -1.010100       1.424100    
 H    5.496000       1.290300      -1.548100    
 H    5.299200     -0.9274000       2.886900    
 H    7.446300       1.372400     -3.9299998E-02
 H    7.355900      0.2642000       2.178400    


%chk=000095033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095033

0 1
O -2.076619 2.435403 1.019739
O -5.874305 -0.317365 0.462506
N -3.810987 -1.173367 -0.258843
N -0.494212 0.088423 -0.273395
N -3.974190 1.030542 0.729003
N -1.513403 -1.836324 -0.927367
C -1.851884 0.244173 0.020779
C -2.448940 -0.955111 -0.396079
C -0.327987 -1.166541 -0.840051
C -2.569500 1.335299 0.622034
C -4.627655 -0.168187 0.316976
C 1.001619 -1.681362 -1.327440
C -4.417840 -2.441271 -0.707423
C -4.857261 2.058179 1.326843
C 2.169036 -1.206969 -0.483248
C 3.171908 -0.412072 -0.956349
C 4.347774 0.090262 -0.215806
C 4.582922 -0.191078 1.161024
C 5.294875 0.897297 -0.907115
C 5.722011 0.317320 1.815827
C 6.436695 1.406294 -0.252629
C 6.655675 1.118590 1.113746
H 0.240448 0.772671 -0.088025
H 0.931840 -2.785309 -1.326643
H 1.151311 -1.377254 -2.382804
H -5.496980 -2.383015 -0.504713
H -3.972318 -3.289001 -0.160358
H -4.239420 -2.585077 -1.786215
H -4.224410 2.917122 1.594063
H -5.358372 1.653001 2.221054
H -5.632765 2.358282 0.603362
H 2.171402 -1.547679 0.561768
H 3.121479 -0.106199 -2.013529
H 3.874425 -0.808984 1.723994
H 5.130266 1.124560 -1.968000
H 5.886025 0.091371 2.875422
H 7.152118 2.025124 -0.805239
H 7.539819 1.512152 1.626928


