%chk=000030459.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030459

0 1
 O   -1.613400     -0.1217000       2.096300    
 N    2.341000     -0.1805000      0.5307000    
 C    3.887500     -0.5906000      -1.451000    
 C    4.822600      9.6299998E-02   1.033700    
 C    4.436000      -1.788800     -0.6605000    
 C    4.918200      0.5415000      -1.479400    
 C    4.961900      -1.403600      0.7301000    
 C    5.435300      0.9252000     -9.8899998E-02
 C    2.519900     -0.1071000     -0.9198000    
 C    3.362000      0.5090000       1.320400    
 C    1.000700      0.2657000      0.9117000    
 C  -0.1109000     -0.6352000      0.3026000    
 C   -1.560200     -9.6199997E-02  0.6544000    
 C   0.1035000      -2.086600      0.7896000    
 C   -1.846400       1.338600      0.1650000    
 C   -2.675300      -1.012800      0.1125000    
 C   -2.620700       2.148000      0.9539000    
 C   -2.489000      -1.606000      -1.108800    
 C   -1.311700       1.731400      -1.033600    
 C   -3.797600      -1.189600      0.8790000    
 C   -2.879300       3.445200      0.5117000    
 C   -3.497500      -2.435400      -1.599100    
 C   -1.570300       3.028800      -1.475700    
 C   -4.806100      -2.019200      0.3887000    
 C   -2.354200       3.885700     -0.7029000    
 C   -4.656000      -2.642100     -0.8505000    
 H    3.731000     -0.9130000      -2.489500    
 H    5.397000      0.3132000       1.944500    
 H    5.257200      -2.244800      -1.228600    
 H    3.668600      -2.567100     -0.5680000    
 H    4.501300       1.424500      -1.979100    
 H    5.770800      0.2293000      -2.096900    
 H    4.452000      -1.996200       1.499600    
 H    6.021800      -1.682700      0.7908000    
 H    6.525200      0.7924000     -8.5600004E-02
 H    5.267800       1.994800      7.7100001E-02
 H    1.810300     -0.7767000      -1.413400    
 H    2.309900      0.9036000      -1.293400    
 H    3.259300       1.598100       1.225100    
 H    3.176200      0.2753000       2.377600    
 H   0.9075000      0.2315000       2.005000    
 H   0.8638000       1.313600      0.6223000    
 H  -9.8999999E-03 -0.6496000     -0.7811000    
 H  -0.6814000      -2.771500      0.4620000    
 H   0.1549000      -2.139300       1.882400    
 H    1.043500      -2.493800      0.4015000    
 H   -1.684600      -1.043700       2.395600    
 H   -3.048800       1.826100       1.897100    
 H   -1.620900      -1.450300      -1.736300    
 H  -0.7168000       1.089200      -1.670600    
 H   -3.948100     -0.7061000       1.838100    
 H   -3.491900       4.111800       1.111900    
 H   -3.384400      -2.915100      -2.567000    
 H   -1.165600       3.370800      -2.423800    
 H   -5.710100      -2.177200      0.9696000    
 H   -2.556900       4.895400      -1.048000    
 H   -5.442400      -3.285900      -1.233300    


%chk=000030459-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030459

0 1
O -1.733966 -0.111485 2.160017
N 2.321235 -0.028398 0.457927
C 3.930599 -0.229513 -1.510344
C 4.787493 -0.073776 1.110957
C 4.234615 -1.622514 -0.897130
C 5.156639 0.703155 -1.337862
C 4.812747 -1.521748 0.554844
C 5.554487 0.886813 0.159145
C 2.616464 0.381127 -0.933824
C 3.342893 0.400242 1.440021
C 0.940476 0.322556 0.879234
C -0.115501 -0.697305 0.367692
C -1.577610 -0.208404 0.686995
C 0.187114 -2.099222 0.944942
C -1.822026 1.216999 0.145622
C -2.673980 -1.150647 0.127781
C -2.013744 2.311679 1.022561
C -2.492787 -1.948622 -1.030671
C -1.849754 1.445407 -1.253467
C -3.940731 -1.169452 0.768414
C -2.223441 3.611891 0.508803
C -3.544831 -2.748964 -1.530253
C -2.051575 2.744924 -1.766595
C -4.992524 -1.969045 0.272040
C -2.239185 3.836450 -0.886519
C -4.799726 -2.764574 -0.881230
H 3.766488 -0.356936 -2.600615
H 5.328362 -0.064351 2.080465
H 4.958014 -2.145786 -1.553719
H 3.306163 -2.222062 -0.890334
H 4.944840 1.683302 -1.807486
H 6.003600 0.263789 -1.901233
H 4.242996 -2.184200 1.233211
H 5.862760 -1.876682 0.567029
H 6.640865 0.706554 0.277863
H 5.376877 1.930013 0.485874
H 1.767322 0.043752 -1.557888
H 2.657439 1.498259 -1.035706
H 3.360853 1.515783 1.568195
H 3.044554 -0.028369 2.416711
H 0.900895 0.327306 1.984726
H 0.664959 1.350202 0.547612
H -0.026949 -0.747121 -0.736430
H -0.498044 -2.875070 0.562856
H 0.132402 -2.098894 2.052486
H 1.224060 -2.370274 0.682140
H -1.659169 -1.029234 2.525244
H -1.996812 2.130119 2.100070
H -1.528422 -1.960229 -1.550250
H -1.734228 0.606316 -1.949385
H -4.091083 -0.541952 1.652990
H -2.372309 4.449661 1.199959
H -3.382204 -3.361039 -2.424782
H -2.071769 2.903938 -2.850861
H -5.963573 -1.967296 0.780432
H -2.400775 4.844981 -1.283754
H -5.615194 -3.385458 -1.268814


