%chk=000153454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153454

0 1
 O    2.123400       3.220000     -0.5520000    
 O    3.296000       1.608100      0.5403000    
 O    1.427100      -3.107700     -7.3799998E-02
 O   -4.274400      0.9385000      3.7900001E-02
 N    2.155600     -0.8667000     -1.8700000E-02
 N   -2.666700     -0.7856000     -3.1000001E-03
 C   0.9662000     -0.1332000      2.7999999E-03
 C   -1.449600     -0.1037000      1.0400000E-02
 C   0.9832000       1.261300      3.5599999E-02
 C  -0.2503000     -0.8157000     -9.8000001E-03
 C   -1.432500       1.290700      4.3200001E-02
 C  -0.2161000       1.973200      5.5900000E-02
 C    2.236500       2.005400      4.9400002E-02
 C    2.311100      -2.257400     -5.2900001E-02
 C   -3.960300     -0.2471000      1.2400000E-02
 C    3.765700      -2.655400     -6.7100003E-02
 C   -5.014900      -1.324900     -1.0600000E-02
 H  -0.3357000      -1.892700     -3.4600001E-02
 H   -2.318500       1.909800      6.3900001E-02
 H  -0.2363000       3.059300      9.5500000E-02
 H    3.014300     -0.3225000     -1.1200000E-02
 H   -2.596900      -1.800800     -2.7000001E-02
 H    4.246300      -2.265600     -0.9687000    
 H    3.851800      -3.745500     -6.1000001E-02
 H    4.269000      -2.255500      0.8178000    
 H   -4.926900      -1.908000     -0.9315000    
 H   -6.009300     -0.8716000      2.9700000E-02
 H   -4.890900      -1.984200      0.8531000    
 H    2.970700       3.714400     -0.5389000    


%chk=000153454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153454

0 1
O 2.179096 3.391902 -0.075768
O 3.450419 1.463582 -0.066461
O 1.392243 -3.106910 -0.005618
O -4.341083 0.934919 -0.001632
N 2.161451 -0.879521 -0.030627
N -2.715180 -0.763544 0.003794
C 0.953145 -0.151508 -0.029953
C -1.504116 -0.029110 -0.013823
C 1.009528 1.291787 -0.046910
C -0.308377 -0.789272 -0.012972
C -1.461042 1.395529 -0.031659
C -0.210110 2.023209 -0.047362
C 2.293994 1.999567 -0.063714
C 2.341344 -2.266231 -0.022573
C -4.037364 -0.290762 0.008669
C 3.808601 -2.685539 -0.039236
C -5.081488 -1.405683 0.024745
H -0.328477 -1.882813 0.000254
H -2.389025 1.967302 -0.032529
H -0.152342 3.114737 -0.060564
H 3.004820 -0.272665 -0.043788
H -2.603367 -1.781182 0.013936
H 4.306879 -2.341246 -0.964087
H 3.865326 -3.782068 0.011230
H 4.357139 -2.253955 0.817815
H -5.009075 -2.034118 -0.882307
H -6.080960 -0.949924 0.059257
H -4.958029 -2.061558 0.906365
H 3.093651 3.781975 -0.087483


