%chk=000016247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016247

0 1
 O    2.072100      5.8400001E-02 -0.9689000    
 O    2.555400      7.6499999E-02   1.305300    
 N   -3.339600      0.3317000      0.2904000    
 N    4.255700     -2.4100000E-02 -0.2699000    
 C   -1.966500      0.2479000     -2.8600000E-02
 C   -1.340200     -0.9908000     -0.1673000    
 C   -1.235800       1.422700     -0.2059000    
 C   1.7000001E-02  -1.054700     -0.4832000    
 C   0.7478000      0.1202000     -0.6606000    
 C   0.1213000       1.358900     -0.5220000    
 C   -2.098900      -2.264700      1.6799999E-02
 C   -4.334800      0.3678000     -0.7614000    
 C   -3.768900      0.3686000       1.673400    
 C    2.939900      3.9000001E-02  0.1401000    
 C    5.375500     -5.7599999E-02  0.6418000    
 H   -1.712800       2.393800     -0.1007000    
 H   0.5150000      -2.015000     -0.5934000    
 H   0.6846000       2.277900     -0.6593000    
 H   -1.485400      -3.139100     -0.2280000    
 H   -2.418600      -2.374000       1.057600    
 H   -2.974200      -2.299900     -0.6390000    
 H   -5.310600      2.6900001E-02 -0.3994000    
 H   -4.448200       1.390000      -1.136700    
 H   -4.055000     -0.2768000      -1.601700    
 H   -3.121900       1.021600       2.269400    
 H   -4.790300      0.7539000       1.763900    
 H   -3.746400     -0.6339000       2.111400    
 H    4.447400     -4.9100000E-02  -1.266600    
 H    5.936900     -0.9770000      0.4586000    
 H    5.044000     -2.6300000E-02   1.682300    
 H    6.013700      0.8036000      0.4296000    


%chk=000016247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016247

0 1
O 2.121301 0.660424 -0.261613
O 2.964870 -1.395666 0.620184
N -3.537179 0.010338 -0.113405
N 4.343126 0.381315 -0.058311
C -2.109018 0.141567 -0.119713
C -1.277716 -0.934223 0.336931
C -1.483789 1.314267 -0.632360
C 0.131030 -0.789609 0.314177
C 0.719600 0.395121 -0.180580
C -0.083356 1.444355 -0.670871
C -1.865063 -2.260906 0.784516
C -4.303788 0.835652 -1.059986
C -4.208283 -0.117582 1.197435
C 3.133311 -0.242613 0.151567
C 5.616419 -0.267192 0.259662
H -2.098675 2.143821 -0.994724
H 0.766344 -1.609212 0.654603
H 0.392884 2.348178 -1.062722
H -1.158331 -3.083926 0.582650
H -2.083059 -2.283016 1.871044
H -2.811517 -2.462982 0.251914
H -5.326021 0.423227 -1.145354
H -4.399581 1.905016 -0.751295
H -3.834628 0.801564 -2.057487
H -3.632697 -0.771217 1.868577
H -4.327984 0.869199 1.704102
H -5.213104 -0.559583 1.062669
H 4.321264 1.324894 -0.444722
H 6.251620 -0.367778 -0.639868
H 5.396366 -1.273410 0.650095
H 6.173856 0.296379 1.030882


