%chk=000054072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054072

0 1
 O  -0.1491000      -1.501100     -0.2374000    
 O   0.2403000       2.374500      0.5739000    
 N    1.059400      0.7118000     -0.8210000    
 N    4.474300      -1.207100       1.053800    
 C    3.352700      0.7452000      8.4100001E-02
 C    2.381200       1.254400     -0.9769000    
 C    3.525400     -0.7738000      3.4200002E-02
 C   -1.224900      0.6251000      3.4600001E-02
 C   8.2300000E-02   1.326100     -4.6300001E-02
 C   -1.273700     -0.7507000     -6.4800002E-02
 C   -2.362100       1.389100      0.2079000    
 C   -2.511200      -1.389800      1.2400000E-02
 C   -3.599600      0.7498000      0.2850000    
 C   -3.674100     -0.6396000      0.1873000    
 C  -0.3209000      -2.913900     -0.3269000    
 H    4.323300       1.233600     -6.7500003E-02
 H    2.995800       1.041200       1.078900    
 H    2.731000      0.9785000      -1.977500    
 H    2.328300       2.347800     -0.9314000    
 H    2.572100      -1.278300      0.2151000    
 H    3.885900      -1.081900     -0.9532000    
 H   0.8468000     -0.1436000      -1.324400    
 H   -2.322400       2.472000      0.2799000    
 H   -2.647800      -2.463500     -5.5399999E-02
 H    5.381200     -0.7735000      0.8853000    
 H    4.619500      -2.212700      0.9744000    
 H   -4.505300       1.333800      0.4197000    
 H   -4.638300      -1.136200      0.2471000    
 H  -0.9113000      -3.194400      -1.205800    
 H  -0.7265000      -3.331400      0.6009000    
 H   0.6744000      -3.350200     -0.4618000    


%chk=000054072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054072

0 1
O -0.457178 -1.707964 -0.772892
O 0.242769 2.447814 -0.114861
N 1.142855 0.438606 -0.862094
N 4.787677 -0.670448 1.463502
C 3.458293 0.868516 0.042965
C 2.465505 1.021577 -1.134379
C 3.801598 -0.599183 0.369505
C -1.206488 0.499138 -0.080251
C 0.112333 1.200192 -0.350057
C -1.496681 -0.886894 -0.274500
C -2.244984 1.323183 0.421644
C -2.778266 -1.408722 0.024760
C -3.523926 0.815452 0.722917
C -3.788350 -0.557072 0.522097
C -0.727469 -3.132711 -0.985782
H 4.389361 1.412912 -0.222082
H 3.044810 1.353824 0.944679
H 2.876992 0.541484 -2.044179
H 2.314321 2.094526 -1.343989
H 2.881828 -1.115948 0.705678
H 4.132430 -1.105297 -0.574908
H 0.961376 -0.559873 -1.014859
H -1.995453 2.380176 0.563694
H -2.998201 -2.469443 -0.124563
H 5.668846 -0.186537 1.265966
H 4.936495 -1.604422 1.855111
H -4.303465 1.479697 1.109056
H -4.776484 -0.971784 0.750431
H -1.533836 -3.277425 -1.728893
H -0.993936 -3.632939 -0.035917
H 0.213929 -3.549237 -1.373600


