%chk=000033262.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033262

0 1
 O    3.413800     -0.2857000      1.3400000E-02
 O   -1.713200     -0.6162000      0.2713000    
 O    6.760400      -1.269700     -0.1996000    
 O    4.907500      -2.427000      5.6200001E-02
 N   -6.377600     -0.5113000     -0.2451000    
 N   -4.056100     -0.6472000      0.3869000    
 N    5.500600      -1.317800     -8.5800000E-02
 N   -1.403600       1.599300      0.2697000    
 N   -2.763200       1.358100      0.3357000    
 C    2.896700      0.9583000     -4.1400000E-02
 C    3.863300       1.905900     -0.2027000    
 C    1.484400       1.185500      6.3500002E-02
 C    4.758100     -0.1358000     -0.1164000    
 C    5.085100       1.193300     -0.2521000    
 C   0.5642000      0.1953000      0.1638000    
 C  -0.8304000      0.4191000      0.2341000    
 C   -7.413400      0.2893000     -0.8825000    
 C   -6.710100      -1.898900      4.5699999E-02
 C   -5.076000     -5.0700001E-02 -0.1484000    
 C   -2.890600      5.6400001E-02  0.3337000    
 H    3.728000       2.976000     -0.2772000    
 H    1.155400       2.222300      4.2100001E-02
 H    6.077600       1.604200     -0.3722000    
 H   0.8902000     -0.8417000      0.1751000    
 H   -7.405500      0.1209000      -1.963900    
 H   -7.256700       1.357000     -0.6954000    
 H   -8.406400      3.5399999E-02 -0.4973000    
 H   -7.782300      -2.026200      0.2280000    
 H   -6.185400      -2.248000      0.9412000    
 H   -6.425700      -2.537100     -0.7969000    
 H   -4.985400      0.9545000     -0.6022000    


%chk=000033262-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033262

0 1
O 3.404718 -0.313321 0.055656
O -1.753234 -0.375205 -0.124018
O 6.807877 -1.430793 0.235206
O 4.833920 -2.620684 0.216196
N -6.468930 -0.567618 -0.281385
N -4.124144 -0.443522 -0.204729
N 5.508998 -1.516320 0.190504
N -1.409490 1.887502 -0.226786
N -2.805374 1.657653 -0.264949
C 2.982656 1.037242 -0.022622
C 4.117534 1.871413 -0.018913
C 1.579048 1.318717 -0.087177
C 4.802295 -0.275355 0.106338
C 5.272767 1.036267 0.062948
C 0.590628 0.357201 -0.077317
C -0.806066 0.681091 -0.143795
C -7.778106 0.097361 -0.362176
C -6.457338 -2.039651 -0.204114
C -5.310711 0.151668 -0.277307
C -2.994646 0.310416 -0.202988
H 4.098871 2.958132 -0.069691
H 1.299368 2.376486 -0.147473
H 6.318227 1.331256 0.088386
H 0.847997 -0.705475 -0.017091
H -8.325157 -0.232150 -1.265424
H -7.647044 1.190533 -0.409728
H -8.391552 -0.146192 0.525512
H -6.996787 -2.378873 0.699762
H -5.410624 -2.373712 -0.158001
H -6.948547 -2.472129 -1.095397
H -5.433454 1.245561 -0.338130


