%chk=000122773.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122773

1 1
 O    2.433200      -2.110700     -1.8000000E-03
 O    4.163800     -0.4558000     -7.9999998E-04
 O   -3.331700      0.8713000     -6.0999999E-03
 N   -1.280000       2.696500       0.000000    
 C   0.2865000      0.8947000      7.9999998E-04
 C   0.5546000     -0.5037000      5.0000002E-04
 C   -1.017200       1.383200       0.000000    
 C    1.331900       1.863900      1.5000000E-03
 C  -0.5904000      -1.461000      6.9999998E-04
 C    1.906700     -0.8511000     -1.9999999E-04
 C   -1.919000     -0.9751000     -6.9999998E-04
 C   -2.171500      0.4839000     -2.0000001E-03
 C    2.916500      9.2900001E-02  9.9999997E-05
 C    2.664300       1.446200      1.2000001E-03
 C    1.017800       3.228300      1.9000000E-03
 C  -0.3119000       3.618100      1.1000000E-03
 C  -0.4458000      -2.861000      2.9000000E-03
 C   -3.029000      -1.834400     -6.9999998E-04
 C    3.847100      -1.855300     -3.8000001E-03
 C   -2.634400       3.261600      1.0000000E-03
 C   -1.550900      -3.722400      3.1999999E-03
 C   -2.840700      -3.210100      1.3000000E-03
 H    3.484600       2.157700      1.4000000E-03
 H    1.796200       3.986500      2.4000001E-03
 H  -0.5826000       4.667900      1.2000001E-03
 H   0.5258000      -3.341000      4.8000002E-03
 H   -4.046500      -1.452800     -1.9000000E-03
 H    4.286800      -2.315600     -0.8960000    
 H    4.290000      -2.319900      0.8846000    
 H   -2.606400       4.356200      4.3000001E-03
 H   -3.145600       2.963800     -0.9185000    
 H   -3.146500       2.958700      0.9183000    
 H   -1.395200      -4.797700      4.9999999E-03
 H   -3.695200      -3.879700      1.5000000E-03


%chk=000122773-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122773

1 1
O 2.412415 -2.145304 -0.000153
O 4.173019 -0.542602 -0.000512
O -3.454540 0.872679 -0.003735
N -1.333111 2.786406 0.000840
C 0.256868 0.928379 -0.000058
C 0.514521 -0.505563 -0.000038
C -1.088658 1.416918 -0.000001
C 1.360872 1.886238 -0.000064
C -0.590003 -1.474967 0.000333
C 1.870793 -0.857000 -0.000285
C -1.935794 -0.988834 -0.000381
C -2.252070 0.452721 -0.001405
C 2.941439 0.099328 -0.000483
C 2.724719 1.463580 -0.000326
C 1.038084 3.271163 0.000234
C -0.282974 3.688169 0.000855
C -0.383302 -2.883422 0.001318
C -3.030702 -1.894363 -0.000260
C 3.899158 -2.003328 -0.001486
C -2.711586 3.390639 0.002140
C -1.478420 -3.770720 0.001559
C -2.807954 -3.280738 0.000733
H 3.546861 2.181817 -0.000336
H 1.829185 4.024744 0.000167
H -0.554572 4.743921 0.001403
H 0.628357 -3.288996 0.001898
H -4.043214 -1.480741 -0.000945
H 4.300119 -2.447863 -0.925307
H 4.301951 -2.449446 0.920737
H -2.593450 4.484300 0.005076
H -3.272333 3.068639 -0.886032
H -3.272623 3.064052 0.888439
H -1.295051 -4.849955 0.002389
H -3.652703 -3.975752 0.000886


