%chk=000084392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084392

0 1
 O    1.998700     -0.5110000     -0.9579000    
 O    1.203500       2.266900       1.180000    
 O    3.394800       2.146500     -0.4227000    
 N  -0.2143000     -0.2567000     -0.1405000    
 N    3.817400      -2.637300     -0.3573000    
 N   -1.636400      -1.893500      0.3856000    
 N   -1.790500       1.546700     -0.5473000    
 N   -4.092200      0.8059000     -0.2171000    
 N   -4.641500      -1.432300      0.4281000    
 C    1.714400      0.9914000      0.8505000    
 C    3.171200       1.025300      0.4322000    
 C    1.054900      0.4207000     -0.3957000    
 C    3.303400     -0.2535000     -0.3891000    
 C    3.707800      -1.458000      0.4493000    
 C   -1.466000      0.2868000     -0.2201000    
 C  -0.3705000      -1.568500      0.2262000    
 C   -2.332200     -0.7433000      0.1099000    
 C   -3.691700     -0.4479000      0.1044000    
 C   -3.130800       1.711900     -0.5186000    
 H    1.580100      0.3271000       1.712000    
 H   0.8565000       1.190800      -1.151300    
 H    3.863300       1.103800       1.275400    
 H    4.003200     -0.1212000      -1.223000    
 H    2.968300      -1.643200       1.236400    
 H    4.668300      -1.263100      0.9383000    
 H    1.374100       2.862100      0.4303000    
 H    4.325000       2.115100     -0.7047000    
 H   0.4665000      -2.238400      0.3680000    
 H    2.925600      -2.840500     -0.8067000    
 H    4.032400      -3.442300      0.2292000    
 H   -3.487100       2.704900     -0.7709000    
 H   -4.345300      -2.368700      0.6680000    
 H   -5.623700      -1.193200      0.4168000    


%chk=000084392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084392

0 1
O 1.861650 -0.568130 -0.780924
O 1.374954 2.190101 1.638068
O 3.332252 2.243620 -0.141012
N -0.280254 -0.201201 0.193961
N 3.864212 -2.594051 -0.857439
N -1.813239 -1.676651 1.058019
N -1.824044 1.297086 -1.057014
N -4.173533 0.602087 -0.819515
N -4.837415 -1.275335 0.454270
C 1.807067 0.920533 1.108118
C 3.249510 0.939371 0.539724
C 0.986911 0.429200 -0.124062
C 3.290129 -0.252448 -0.442213
C 3.926872 -1.521970 0.142970
C -1.535884 0.229436 -0.261577
C -0.512864 -1.347781 0.974875
C -2.466071 -0.690259 0.290449
C -3.839626 -0.465520 -0.018498
C -3.167636 1.405304 -1.286099
H 1.723098 0.192923 1.933051
H 0.764640 1.273415 -0.804534
H 4.020231 0.863374 1.330765
H 3.801191 0.007827 -1.388685
H 3.418620 -1.755633 1.113632
H 4.990103 -1.307469 0.371782
H 1.750905 2.894381 1.042623
H 4.228548 2.380454 -0.532227
H 0.298779 -1.912146 1.427130
H 2.918814 -2.749072 -1.220775
H 4.341854 -3.460098 -0.597357
H -3.483135 2.238429 -1.921041
H -4.608016 -2.068756 1.048650
H -5.801425 -1.067721 0.202585


