%chk=000003139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003139

0 1
 O   -1.613700      -2.402100      0.5274000    
 O   -4.925300      0.9498000     -5.3500000E-02
 N  -0.3320000       2.169600     -0.3329000    
 N    5.540800     -0.4169000      7.7299997E-02
 C  -0.9205000     -0.1271000      9.8600000E-02
 C   -1.266500       1.218400     -0.1463000    
 C    1.405000      0.5175000     -4.6900000E-02
 C   0.4399000     -0.4605000      0.1450000    
 C   -1.922300      -1.093900      0.2889000    
 C   -2.618000       1.549200     -0.1922000    
 C    2.812600      0.1993000     -4.3000001E-03
 C   -3.614100      0.5881000     -3.0000000E-03
 C   -3.266200     -0.7353000      0.2379000    
 C   0.9699000       1.806200     -0.2804000    
 C    3.257900      -1.062400     -0.3877000    
 C    3.734000       1.152400      0.4201000    
 C    4.618500      -1.317900     -0.3294000    
 C    5.073300      0.7979000      0.4424000    
 C   -1.482100      -3.251700     -0.6091000    
 C   -5.891300     -8.0600001E-02  0.1481000    
 H   0.7270000      -1.485500      0.3670000    
 H   -2.910500       2.581400     -0.3795000    
 H   -3.991000      -1.527100      0.3945000    
 H    1.647400       2.633400     -0.4680000    
 H    2.598300      -1.842100     -0.7532000    
 H    3.452900       2.144900      0.7554000    
 H    5.015900      -2.283600     -0.6240000    
 H    5.829400       1.503400      0.7710000    
 H   -1.167900      -4.240100     -0.2630000    
 H  -0.7267000      -2.868700      -1.302500    
 H   -2.443700      -3.351400      -1.122600    
 H   -5.816300     -0.5119000       1.152100    
 H   -5.836800     -0.8428000     -0.6367000    
 H   -6.879900      0.3842000      7.3299997E-02


%chk=000003139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003139

0 1
O -1.324711 -2.511882 -0.091877
O -4.881856 0.944946 -0.130532
N -0.270302 2.242194 -0.088764
N 5.844616 -0.179385 0.062749
C -0.787429 -0.179998 -0.087736
C -1.205732 1.207811 -0.094889
C 1.546286 0.567997 -0.040488
C 0.604944 -0.474899 -0.058068
C -1.806702 -1.196701 -0.096694
C -2.586272 1.543832 -0.108889
C 3.008073 0.314701 -0.005636
C -3.545401 0.523835 -0.116121
C -3.166371 -0.859645 -0.110809
C 1.030981 1.915396 -0.063150
C 3.581847 -0.836673 -0.613920
C 3.907773 1.210092 0.637130
C 4.976099 -1.039697 -0.551900
C 5.290523 0.928045 0.642796
C -2.303002 -3.602551 -0.090839
C -5.935950 -0.072113 -0.132973
H 0.919058 -1.522000 -0.020269
H -2.885547 2.593571 -0.114345
H -3.931778 -1.638596 -0.117929
H 1.731253 2.760121 -0.090044
H 2.954853 -1.555505 -1.151948
H 3.539187 2.103156 1.152010
H 5.431799 -1.921650 -1.016515
H 5.994518 1.608237 1.135766
H -1.704365 -4.524728 -0.086109
H -2.936081 -3.572156 -0.998538
H -2.939981 -3.565518 0.813846
H -5.892659 -0.703079 0.776047
H -5.882381 -0.709393 -1.037070
H -6.877293 0.496338 -0.140491


