%chk=000081845.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081845

0 1
 O   -1.579300       3.231300       1.621100    
 O   -1.598900      -3.221600       1.622000    
 O    3.932400     -9.3999999E-03   1.413600    
 N   -1.222700       2.434500     -0.5663000    
 N   -1.237100      -2.428100     -0.5658000    
 N    2.939500     -8.1000002E-03 -0.7229000    
 C   -1.245600      2.9000000E-03 -0.5636000    
 C  -0.5453000       1.209000     -0.5900000    
 C  -0.5520000      -1.207000     -0.5900000    
 C   0.8485000       1.205300     -0.6426000    
 C   0.8419000      -1.210700     -0.6425000    
 C    1.542100     -4.6000001E-03 -0.6688000    
 C   -2.741000      7.4999998E-03 -0.5088000    
 C   -1.400900       2.832600      0.5286000    
 C   -1.417900      -2.824600      0.5292000    
 C    3.436200     -8.8000000E-03  0.3467000    
 H    1.395500       2.145500     -0.6685000    
 H    1.383700      -2.154000     -0.6683000    
 H   -3.173200     -0.8611000      -1.017000    
 H   -3.079700      9.1000004E-03  0.5322000    
 H   -3.167800      0.8782000      -1.017800    


%chk=000081845-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081845

0 1
O -2.357256 4.560635 -0.103697
O -2.386411 -4.545953 -0.101767
O 5.401787 -0.011977 -0.081370
N -1.194172 2.429846 -0.148786
N -1.207690 -2.423739 -0.145632
N 2.974382 -0.008915 -0.111199
C -1.278190 0.003343 -0.165454
C -0.527723 1.217625 -0.150272
C -0.534657 -1.215162 -0.148608
C 0.888992 1.222804 -0.133570
C 0.881992 -1.228286 -0.131611
C 1.593170 -0.004756 -0.126419
C -2.789612 0.007700 -0.177671
C -1.774753 3.488443 -0.124253
C -1.793902 -3.479251 -0.122109
C 4.181592 -0.012549 -0.096320
H 1.432111 2.171114 -0.125662
H 1.419717 -2.179650 -0.122054
H -3.188781 -0.885274 -0.686091
H -3.198590 0.010321 0.851600
H -3.183607 0.901581 -0.688555