%chk=000003739.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003739

0 1
 I    3.565700      0.3083000      -2.617400    
 I  -0.9849000       1.359500      -1.583900    
 I    1.742300      -1.539200       2.928600    
 I   -4.010900      -3.124400       1.285400    
 I    3.298700       4.153600       2.142900    
 I   -6.369300       2.341100       1.166000    
 O    3.980500      -2.918100       1.058600    
 O   -2.809000      -3.181900      -1.699700    
 O    2.779800       3.734400      -1.518600    
 O   -3.002700       3.724300      0.3995000    
 O    4.984300       3.371500      -1.100100    
 O   -4.068500       3.402100      -1.582200    
 N    2.518100      -1.625300     -0.2470000    
 N   -1.687300      -1.573100     -0.4150000    
 C    1.425700      -4.689100     -6.9799997E-02
 C   0.1363000      -3.858500      1.7300000E-02
 C    2.652600      -3.984300     -0.6437000    
 C  -0.4570000      -3.443700      -1.331000    
 C    3.137600      -2.797600      0.1760000    
 C   -1.794300      -2.730500      -1.174800    
 C    2.702700     -0.3193000      0.2634000    
 C   -2.724700     -0.6719000     -7.2700001E-02
 C    3.153600      0.7057000     -0.5680000    
 C   -2.655500      0.6650000     -0.4642000    
 C    2.430200     -5.9200000E-02   1.606400    
 C   -3.820600      -1.128500      0.6596000    
 C    3.332200       1.991000     -5.6499999E-02
 C   -3.682200       1.545600     -0.1233000    
 C    2.608700       1.226200       2.117900    
 C   -4.847500     -0.2480000       1.000300    
 C    3.059800       2.251200       1.286500    
 C   -4.778200       1.089000      0.6089000    
 C    3.804300       3.074100     -0.9199000    
 C   -3.620400       2.950000     -0.5294000    
 H    1.227200      -5.588800     -0.6649000    
 H    1.668100      -5.034600      0.9434000    
 H   0.2975000      -2.978600      0.6394000    
 H  -0.6112000      -4.460100      0.5510000    
 H    2.467400      -3.678700      -1.679700    
 H    3.483700      -4.699500     -0.6893000    
 H   0.2222000      -2.776400      -1.871700    
 H  -0.6138000      -4.329400      -1.957400    
 H    2.188100      -1.638700      -1.210000    
 H  -0.7608000      -1.149500     -0.4200000    
 H    2.395100       1.429200       3.165400    
 H   -5.702700     -0.6045000       1.570800    
 H    3.100000       4.459200      -2.097000    
 H   -2.963500       4.665100      0.1241000    


%chk=000003739-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003739

0 1
I 4.179626 0.322897 -2.594675
I -1.183269 1.193289 -1.301812
I 0.992067 -0.840126 2.617449
I -4.218917 -3.315048 1.668471
I 4.077565 4.327848 2.114877
I -6.837269 2.117455 1.037073
O 3.416583 -2.728814 1.178140
O -3.016984 -3.179077 -1.605685
O 3.940842 3.903127 -1.678427
O -3.411121 3.613925 0.510832
O 6.001774 3.152339 -0.897526
O -4.326433 3.213666 -1.591265
N 2.426541 -1.332832 -0.425979
N -1.868083 -1.765246 -0.141070
C 1.471684 -4.733186 -0.263776
C 0.094103 -4.082293 0.006050
C 2.532482 -3.768572 -0.864393
C -0.604062 -3.555071 -1.275427
C 2.843712 -2.593617 0.066314
C -1.942798 -2.849823 -1.036750
C 2.776339 -0.077941 0.148832
C -2.961658 -0.899682 0.137922
C 3.549475 0.858564 -0.603001
C -2.926715 0.466293 -0.266318
C 2.359115 0.321160 1.449760
C -4.117157 -1.346543 0.837221
C 3.924448 2.121482 -0.087309
C -3.998410 1.357328 -0.016473
C 2.760382 1.556311 2.000739
C -5.212877 -0.488333 1.066001
C 3.535789 2.448518 1.235508
C -5.148053 0.853321 0.640961
C 4.757610 3.080199 -0.902284
C -3.943996 2.791340 -0.482417
H 1.355091 -5.591451 -0.954009
H 1.870849 -5.132767 0.687047
H 0.230856 -3.264208 0.739447
H -0.566719 -4.825523 0.491197
H 2.218946 -3.419281 -1.866459
H 3.478341 -4.325423 -0.995698
H 0.059541 -2.842456 -1.806443
H -0.808976 -4.388286 -1.968910
H 2.130104 -1.309215 -1.406598
H -0.947626 -1.497635 0.223491
H 2.440228 1.834039 3.006523
H -6.095599 -0.856100 1.591713
H 4.504666 4.532833 -2.207296
H -3.394635 4.557318 0.188632


