%chk=000100347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100347

0 1
 O   -4.357400       1.185200     -9.3999997E-02
 O    1.268000       2.964300     -6.0199998E-02
 O  -0.8863000       2.520700     -3.5000000E-02
 O  -0.7424000      -3.780200      9.9500000E-02
 O   -2.281900      -2.209500      7.8100003E-02
 N   -1.740500      0.1665000      2.2100000E-02
 N    3.611500      -1.055300      7.4000000E-03
 N    3.096000       1.106400     -3.5000000E-02
 N   0.3128000       2.151500     -3.5599999E-02
 N   -1.085100      -2.576600      7.6099999E-02
 C   -2.416400      0.3316000      -1.272100    
 C   -2.257800       1.005600       1.108500    
 C  -0.3970000     -0.2223000      2.0300001E-02
 C   -3.926200      0.2462000      -1.079000    
 C   -3.776300      0.8846000       1.174400    
 C   0.5992000      0.7616000     -8.2999999E-03
 C  -6.7500003E-02  -1.579400      4.6599999E-02
 C    1.944000      0.3543000     -9.9999998E-03
 C    2.241100      -1.005500      1.6799999E-02
 C    1.265600      -2.002800      4.5600001E-02
 C    4.075600      0.2303000     -2.3900000E-02
 C    5.520900      0.5229000     -4.2199999E-02
 H   -2.102400     -0.4390000      -1.986400    
 H   -2.162900       1.301500      -1.713500    
 H   -2.137800       2.076600       1.234600    
 H   -1.871600      0.5950000       2.053100    
 H   -4.432400      0.4923000      -2.018000    
 H   -4.252000     -0.7588000     -0.7893000    
 H   -4.081300     -0.1238000       1.480800    
 H   -4.187700       1.582400       1.911800    
 H    1.562400      -3.045800      6.5700002E-02
 H    4.175600      -1.894700      2.1000000E-02
 H    5.696500       1.602900     -6.6299997E-02
 H    6.009400      0.1207000      0.8508000    
 H    5.994400      8.3300002E-02 -0.9255000    


%chk=000100347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100347

0 1
O -4.558181 1.029866 0.208244
O 0.881956 2.960204 0.873568
O -0.336728 2.655682 -1.034526
O -0.635157 -3.858881 -0.001637
O -2.311268 -2.396690 -0.491852
N -1.781018 0.289489 -0.076930
N 3.663706 -1.127223 -0.032983
N 3.161061 1.086028 0.214410
N 0.369425 2.214002 -0.040488
N -1.064384 -2.658754 -0.267027
C -2.700891 0.235819 -1.246014
C -2.200761 1.316829 0.910326
C -0.454045 -0.162073 -0.147016
C -4.150224 0.013945 -0.781075
C -3.643169 1.000675 1.355982
C 0.627745 0.762668 0.016990
C -0.080904 -1.566271 -0.269739
C 1.975243 0.346148 0.089729
C 2.263924 -1.052172 -0.077537
C 1.265791 -2.004927 -0.260749
C 4.153926 0.172845 0.140580
C 5.613119 0.483907 0.236298
H -2.397826 -0.569811 -1.929927
H -2.614647 1.209208 -1.776311
H -2.186208 2.333017 0.463004
H -1.523026 1.297699 1.782049
H -4.850395 0.129990 -1.624267
H -4.245747 -0.998476 -0.343466
H -3.677925 0.005819 1.848835
H -4.008081 1.776106 2.049879
H 1.456360 -3.077331 -0.348642
H 4.225282 -1.973882 -0.109218
H 5.734083 1.568632 0.369567
H 6.082822 -0.028627 1.096040
H 6.156242 0.179240 -0.677198


