%chk=000045539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045539

0 1
 O    1.913300      -2.061000     -7.1500003E-02
 O    3.732200      7.8999996E-03 -4.4000000E-02
 N   -2.681700      4.0700000E-02 -0.3301000    
 C  -0.9023000      -1.625200     -3.1500001E-02
 C   -2.312700      -1.190300      0.3796000    
 C   -1.822800       1.156300      0.1052000    
 C   9.4800003E-02 -0.4967000      1.5400000E-02
 C  -0.3469000      0.8375000      3.5399999E-02
 C    1.467800     -0.7719000     -2.1600001E-02
 C   0.5939000       1.875900      5.5700000E-02
 C   -4.090100      0.3656000     -0.1079000    
 C    2.395500      0.2694000     -1.2700000E-02
 C    1.959000       1.591700      2.8200001E-02
 H  -0.9266000      -2.024800      -1.053300    
 H  -0.6018000      -2.431500      0.6479000    
 H   -3.006000      -2.002900      0.1296000    
 H   -2.363800      -1.043500       1.467100    
 H   -2.055100       1.445900       1.138900    
 H   -2.022300       2.019800     -0.5418000    
 H   0.2668000       2.911800      9.3199998E-02
 H   -4.733200     -0.4386000     -0.4823000    
 H   -4.367300       1.271200     -0.6590000    
 H   -4.317600      0.5232000      0.9526000    
 H    2.677200       2.407100      3.9900001E-02
 H    1.195700      -2.666400     -0.3141000    
 H    3.854500     -0.9571000     -7.0400000E-02


%chk=000045539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045539

0 1
O 2.037078 -2.056763 -0.146628
O 3.791026 -0.011548 -0.065127
N -2.706530 0.045443 -0.279223
C -0.926500 -1.649928 -0.056995
C -2.318282 -1.194993 0.424488
C -1.843931 1.180967 0.116937
C 0.075835 -0.504187 -0.014551
C -0.358842 0.846203 0.053229
C 1.464396 -0.760472 -0.059018
C 0.598785 1.888134 0.087108
C -4.137140 0.369328 -0.136233
C 2.421783 0.282542 -0.021597
C 1.983772 1.617632 0.052955
H -1.022820 -2.029703 -1.093995
H -0.596983 -2.496812 0.584082
H -3.066072 -1.976464 0.196799
H -2.305368 -1.056006 1.537407
H -2.091961 1.525297 1.158955
H -2.060392 2.032633 -0.556107
H 0.259178 2.929416 0.137222
H -4.749737 -0.470681 -0.508957
H -4.377428 1.261630 -0.742149
H -4.441698 0.581046 0.920988
H 2.728313 2.418339 0.074675
H 1.345459 -2.759666 -0.188815
H 3.898560 -0.997287 -0.126952


