%chk=000003055.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003055

0 1
 O    1.148200     -0.3200000       1.958500    
 N   -3.681300     -0.9188000      0.1978000    
 C   -3.886700      0.4627000     -0.2597000    
 C   -4.750000      -1.803400     -0.2872000    
 C   -2.373700      -1.411500     -0.2341000    
 C   -5.229600       1.010600      0.2254000    
 C   -6.121200      -1.329600      0.1972000    
 C   -6.384200      0.1155000     -0.2106000    
 C   -1.257900     -0.5589000      0.3718000    
 C   0.1265000      -1.079400     -5.7000000E-02
 C    1.325700     -0.2731000      0.5297000    
 C    1.335000       1.214400      0.1409000    
 C    2.658500     -0.9290000      0.1409000    
 C   0.8849000       1.564600      -1.107600    
 C    3.680200     -0.9279000       1.058900    
 C    1.793300       2.124900       1.059900    
 C    2.771300      -1.488400      -1.108400    
 C   0.8933000       2.914300      -1.460100    
 C    4.890900      -1.524000      0.7054000    
 C    1.801900       3.474400      0.7074000    
 C    3.981900      -2.084300      -1.461800    
 C    1.351600       3.869400     -0.5526000    
 C    5.041800      -2.102600     -0.5548000    
 H   -3.832500      0.5285000      -1.354200    
 H   -3.144900       1.151200      0.1520000    
 H   -4.589600      -2.821200      8.8699996E-02
 H   -4.745600      -1.856400      -1.384000    
 H   -2.294100      -1.415400      -1.329000    
 H   -2.241400      -2.446500      0.1055000    
 H   -5.380700       2.023100     -0.1661000    
 H   -5.222100       1.088900       1.320200    
 H   -6.175100      -1.416700       1.289800    
 H   -6.903400      -1.977700     -0.2140000    
 H   -7.321900      0.4674000      0.2335000    
 H   -6.501000      0.1732000      -1.299700    
 H   -1.340900     -0.5697000       1.465300    
 H   -1.326600      0.4793000      4.7100000E-02
 H   0.1289000      -1.123000      -1.150100    
 H   0.2038000      -2.120500      0.2893000    
 H    1.209900      -1.248800       2.241200    
 H   0.5422000      0.8488000      -1.844800    
 H    3.591600     -0.4751000       2.040800    
 H    2.163400       1.846200       2.040800    
 H    1.990200      -1.469500      -1.857400    
 H   0.5476000       3.221500      -2.442900    
 H    5.717200      -1.535200       1.410300    
 H    2.162500       4.217900       1.412300    
 H    4.102900      -2.527600      -2.446000    
 H    1.360000       4.920000     -0.8275000    
 H    5.985100      -2.564500     -0.8310000    


%chk=000003055-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003055

0 1
O 1.236159 -0.520516 1.939286
N -3.739378 -0.762883 0.130690
C -4.105005 0.595343 -0.349424
C -4.804577 -1.747817 -0.193664
C -2.414007 -1.210394 -0.365613
C -5.431879 1.072633 0.275644
C -6.151549 -1.346520 0.441348
C -6.569646 0.068776 -0.016305
C -1.228842 -0.454395 0.269552
C 0.118569 -1.029988 -0.213159
C 1.363770 -0.380145 0.461472
C 1.396438 1.134697 0.185770
C 2.692728 -1.042040 0.031253
C 1.735260 1.601877 -1.109244
C 3.871822 -0.690829 0.742887
C 1.059684 2.073196 1.190038
C 2.794810 -1.978495 -1.027035
C 1.730895 2.983642 -1.398453
C 5.116096 -1.262546 0.408815
C 1.061585 3.457645 0.902170
C 4.043238 -2.553535 -1.364462
C 1.393071 3.919106 -0.392035
C 5.207505 -2.199567 -0.648870
H -4.201625 0.606905 -1.469860
H -3.295501 1.297167 -0.083686
H -4.486979 -2.737656 0.185773
H -4.941523 -1.845488 -1.305482
H -2.347117 -1.133354 -1.485389
H -2.317343 -2.286876 -0.117842
H -5.682984 2.075560 -0.120603
H -5.294425 1.168221 1.370020
H -6.042656 -1.362009 1.543125
H -6.923782 -2.091648 0.168169
H -7.504023 0.380856 0.487746
H -6.777784 0.055362 -1.106678
H -1.300733 -0.531077 1.369669
H -1.273103 0.621319 0.018689
H 0.195686 -0.898518 -1.311103
H 0.145166 -2.122954 -0.016559
H 1.338243 -1.481739 2.157683
H 2.021320 0.885375 -1.888980
H 3.796809 0.035806 1.558942
H 0.807355 1.707645 2.188676
H 1.906963 -2.270125 -1.596915
H 1.998674 3.330556 -2.403068
H 6.014774 -0.978566 0.968189
H 0.802466 4.174905 1.689590
H 4.103363 -3.276495 -2.186072
H 1.394083 4.992459 -0.613498
H 6.173827 -2.644774 -0.911200


