%chk=000048717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048717

0 1
 O   -2.773100       1.324700     -0.3593000    
 N   -1.573300     -0.6121000     -0.1859000    
 C    1.553300      0.2715000     -8.1799999E-02
 C   0.8438000      -1.039100     -0.5127000    
 C   0.6318000       1.513100     -0.1650000    
 C  -0.4324000      -1.408500      0.2605000    
 C  -0.6311000       1.477500      0.6917000    
 C    2.152300      0.1267000       1.332600    
 C    2.735300      0.5025000      -1.053800    
 C   -1.753900      0.7363000      5.7000001E-03
 C  -0.7527000      -2.892600      6.8200000E-02
 H    1.568000      -1.859400     -0.4102000    
 H   0.6029000     -0.9825000      -1.583800    
 H   0.3490000       1.683500      -1.212800    
 H    1.213300       2.394500      0.1381000    
 H  -0.3053000      -1.233400       1.332900    
 H  -0.9779000       2.508300      0.8398000    
 H  -0.4655000       1.066300       1.690400    
 H    2.698400       1.032300       1.621100    
 H    2.859300     -0.7100000       1.374700    
 H    1.394200     -5.2900001E-02   2.098800    
 H    3.294900       1.407400     -0.7909000    
 H    2.383900      0.6172000      -2.085500    
 H    3.436900     -0.3393000      -1.033400    
 H   -2.324200      -1.101600     -0.6639000    
 H   6.0899999E-02  -3.521300      0.4445000    
 H   -1.666200      -3.165300      0.6083000    
 H  -0.9105000      -3.131500     -0.9895000    


%chk=000048717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048717

0 1
O -2.872215 1.298291 -0.345469
N -1.605419 -0.625454 -0.140669
C 1.580720 0.277923 -0.084433
C 0.856093 -1.034931 -0.516004
C 0.653465 1.529522 -0.175253
C -0.426680 -1.428417 0.265252
C -0.647833 1.516532 0.674580
C 2.155311 0.130630 1.351447
C 2.769481 0.501150 -1.060656
C -1.796247 0.735532 0.032403
C -0.769780 -2.916849 0.044783
H 1.586025 -1.864656 -0.414914
H 0.589519 -0.972333 -1.590605
H 0.378973 1.700586 -1.235548
H 1.254578 2.407973 0.135137
H -0.250489 -1.275561 1.349876
H -1.023324 2.546616 0.789768
H -0.440065 1.129992 1.691728
H 2.703219 1.045972 1.644170
H 2.863294 -0.718161 1.402187
H 1.373490 -0.043130 2.112766
H 3.340880 1.409080 -0.789226
H 2.412998 0.623702 -2.100976
H 3.468607 -0.356396 -1.039800
H -2.386673 -1.116118 -0.586029
H 0.047612 -3.559091 0.414207
H -1.693976 -3.198285 0.581940
H -0.909466 -3.131820 -1.031862


