%chk=000002562.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002562

0 1
 O    1.217300      -1.416100      0.1771000    
 O    3.089900      -1.804000       1.473000    
 O   -1.567800      -1.357400      0.4911000    
 N   -4.907700     -6.1900001E-02 -0.3440000    
 C    3.102200     -6.7199998E-02 -0.2117000    
 C    3.221800     -0.4899000      -1.688800    
 C    4.586900      9.9100001E-02  0.1661000    
 C    4.451100      -1.392400      -1.760400    
 C    5.328500      -1.011200     -0.5745000    
 C    2.255300       1.178300      1.6899999E-02
 C    2.497500      -1.196500      0.5914000    
 C    1.173400       1.450900     -0.8210000    
 C    2.561100       2.048100       1.064400    
 C   0.3983000       2.591700     -0.6116000    
 C    1.786000       3.188700       1.273700    
 C   0.5223000      -2.465800      0.8576000    
 C   0.7047000       3.460500      0.4358000    
 C  -0.8775000      -2.584100      0.2861000    
 C   -3.560600     -6.6600002E-02  0.2064000    
 C   -2.882200      -1.403500     -4.6200000E-02
 C   -5.547000       1.240000     -0.1380000    
 C   -5.717600      -1.123400      0.2584000    
 C   -4.732900       2.361100     -0.7504000    
 C   -7.103000      -1.178300     -0.3515000    
 H    2.342600      -1.011600      -2.082600    
 H    3.394100      0.3870000      -2.327400    
 H    4.966200       1.067000     -0.1894000    
 H    4.787200      5.0999999E-02   1.242300    
 H    4.156600      -2.445400      -1.681700    
 H    4.977800      -1.271900      -2.712700    
 H    6.319800     -0.6755000     -0.8965000    
 H    5.478200      -1.880200      7.6200001E-02
 H   0.9011000      0.7896000      -1.638000    
 H    3.386800       1.856500       1.742800    
 H  -0.4466000       2.801300      -1.261200    
 H    2.021800       3.863300       2.091500    
 H    1.061800      -3.409900      0.7251000    
 H   0.4683000      -2.215000       1.923400    
 H   9.9799998E-02   4.347400      0.5999000    
 H  -0.8201000      -2.784000     -0.7902000    
 H   -1.413000      -3.401900      0.7804000    
 H   -3.554300      0.1558000       1.282100    
 H   -2.921300      0.6875000     -0.2662000    
 H   -2.833300      -1.613500      -1.121600    
 H   -3.388800      -2.229200      0.4595000    
 H   -6.519900       1.272800     -0.6393000    
 H   -5.715800       1.447400      0.9263000    
 H   -5.791700      -1.015700       1.347800    
 H   -5.296600      -2.110300      5.0600000E-02
 H   -5.338400       3.273800     -0.7914000    
 H   -4.426300       2.129700      -1.776300    
 H   -3.844900       2.606600     -0.1597000    
 H   -7.599500      -2.109700     -5.5799998E-02
 H   -7.066800      -1.163200      -1.446400    
 H   -7.745600     -0.3625000     -6.3999998E-03


%chk=000002562-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002562

0 1
O 1.315900 -1.568549 0.076244
O 3.005519 -1.700176 1.664061
O -1.572913 -1.513400 0.439242
N -4.959456 -0.138870 -0.361902
C 3.103117 0.080198 -0.083073
C 2.912256 -0.021882 -1.631085
C 4.651721 0.039312 0.039416
C 3.972986 -1.060698 -2.091359
C 5.100073 -1.027764 -0.999731
C 2.411753 1.319800 0.526679
C 2.519317 -1.149269 0.650175
C 1.013531 1.508207 0.349165
C 3.134733 2.285510 1.271427
C 0.366818 2.644741 0.879523
C 2.486650 3.425099 1.801413
C 0.549537 -2.598153 0.826270
C 1.100631 3.612986 1.604079
C -0.806153 -2.724904 0.153207
C -3.558615 -0.170809 0.129267
C -2.905271 -1.524637 -0.182078
C -5.358116 1.175031 -0.932205
C -5.927185 -0.665805 0.638684
C -4.740725 1.437106 -2.319076
C -7.202613 -1.246890 -0.001386
H 1.885319 -0.298022 -1.915945
H 3.129702 0.975780 -2.056898
H 5.053454 1.030910 -0.241703
H 4.986509 -0.197745 1.062946
H 3.522455 -2.068410 -2.150591
H 4.359321 -0.819587 -3.097486
H 6.087379 -0.779520 -1.427558
H 5.196640 -2.015102 -0.513567
H 0.427267 0.749249 -0.180129
H 4.206114 2.151770 1.449166
H -0.712863 2.768937 0.735290
H 3.064560 4.160364 2.373149
H 1.105638 -3.553185 0.796199
H 0.447427 -2.275696 1.877128
H 0.597544 4.494642 2.017265
H -0.682834 -2.861595 -0.943423
H -1.328990 -3.620631 0.560045
H -3.485368 0.022067 1.224987
H -2.970615 0.618992 -0.370967
H -2.827553 -1.663322 -1.281381
H -3.511975 -2.361679 0.230435
H -6.458749 1.177609 -1.032976
H -5.102386 2.016661 -0.239026
H -6.202843 0.117948 1.389418
H -5.419521 -1.470108 1.203760
H -5.074669 2.415426 -2.712754
H -5.046481 0.646469 -3.026192
H -3.636094 1.451903 -2.281781
H -7.874562 -1.654125 0.777260
H -6.939556 -2.057038 -0.703646
H -7.768566 -0.481847 -0.562982


