%chk=000034578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034578

0 1
 O   -6.198700      0.1799000     -0.1497000    
 O    5.979900      -1.432600      0.2020000    
 O    6.089200      0.7586000      0.2757000    
 N  -0.1251000     -2.5000000E-02 -0.5504000    
 N  -0.6998000     -4.0700000E-02  0.5628000    
 N    5.432300     -0.3044000      0.1620000    
 C    2.012900       1.088900     -0.2422000    
 C    1.262500     -7.9999998E-02 -0.3715000    
 C    3.394600       1.014700     -6.5499999E-02
 C    4.025800     -0.2283000     -1.7999999E-02
 C    1.893600      -1.322700     -0.3239000    
 C    3.275300      -1.397000     -0.1471000    
 C    1.359300       2.431200     -0.2896000    
 C   -2.092700      1.4700000E-02  0.3837000    
 C   -4.850100      0.1256000      2.5400000E-02
 C   -2.820200      -1.164300      0.2565000    
 C   -2.733300       1.248900      0.3331000    
 C   -4.202300      -1.108700      7.6700002E-02
 C   -4.115400       1.304500      0.1535000    
 C   -6.888000      -1.063300     -0.2736000    
 H    3.962300       1.936900      3.4899998E-02
 H    1.318000      -2.239300     -0.4247000    
 H    3.732800      -2.382500     -0.1151000    
 H    2.094900       3.241400     -0.3406000    
 H   0.7236000       2.521800      -1.176800    
 H   0.7515000       2.589900      0.6070000    
 H   -2.322500      -2.129700      0.2960000    
 H   -2.168500       2.172000      0.4323000    
 H   -4.711100      -2.062200     -1.5699999E-02
 H   -4.614300       2.269000      0.1143000    
 H   -6.567000      -1.614300      -1.164100    
 H   -7.950000     -0.8321000     -0.4063000    
 H   -6.803000      -1.663100      0.6389000    


%chk=000034578-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034578

0 1
O -6.378169 -0.539496 0.483163
O 6.126396 -0.226385 1.589544
O 6.310662 0.690871 -0.491833
N -0.056509 0.145580 -0.159993
N -0.760501 -0.356973 0.830185
N 5.612241 0.219643 0.489635
C 2.158294 0.652687 -1.008659
C 1.356642 0.135057 0.062672
C 3.559729 0.670331 -0.845425
C 4.139979 0.187908 0.347597
C 1.966557 -0.346457 1.258829
C 3.358422 -0.323986 1.410284
C 1.525529 1.167703 -2.285548
C -2.165824 -0.351866 0.633383
C -4.988661 -0.446715 0.465318
C -2.833275 0.146760 -0.523544
C -2.936186 -0.897877 1.701852
C -4.232591 0.101969 -0.611478
C -4.333319 -0.946896 1.622952
C -7.125327 -0.042544 -0.680540
H 4.213514 1.054421 -1.633068
H 1.315966 -0.731432 2.048944
H 3.853002 -0.686126 2.315030
H 2.295845 1.528912 -2.987343
H 0.937001 0.377365 -2.783906
H 0.823238 1.993409 -2.075427
H -2.229844 0.562833 -1.336084
H -2.405480 -1.275965 2.581305
H -4.731281 0.488373 -1.505304
H -4.941503 -1.361740 2.431484
H -6.951838 1.039374 -0.832880
H -8.181963 -0.219590 -0.435093
H -6.854247 -0.601350 -1.596051


