%chk=000015988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015988

0 1
 O   0.1057000      0.4738000     -0.7403000    
 N   -3.900300       1.210500     -0.5530000    
 C   -3.242300       1.405600      0.7480000    
 C   -3.619700     -0.1392000      -1.065900    
 C   -1.719900       1.409500      0.5097000    
 C   -2.116500     -0.2142000      -1.396500    
 C   -1.198000      0.1827000     -0.2392000    
 C   -3.696400      0.3808000       1.804400    
 C   -4.094800      -1.249900     -0.1102000    
 C   -3.651000      -1.073000       1.340000    
 C   -5.322400       1.537200     -0.5355000    
 C    1.107900      0.1544000      0.2123000    
 C    1.500100      -1.303100      8.6199999E-02
 C    2.293900       1.094800      0.1183000    
 C    1.935000      -1.983900       1.209100    
 C    3.026400       1.369200       1.258000    
 C    1.414500      -1.919700      -1.149200    
 C    2.612700       1.654500      -1.105100    
 C    2.296500      -3.326100       1.092800    
 C    4.117200       2.234400       1.171400    
 C    1.775900      -3.261900      -1.265500    
 C    3.703300       2.519500      -1.191700    
 C    2.216800      -3.965200     -0.1446000    
 C    4.455700       2.809500     -5.3500000E-02
 H   -3.491400       2.405200       1.129200    
 H   -4.146400     -0.2770000      -2.019900    
 H   -1.456300       2.309700     -6.4499997E-02
 H   -1.195900       1.521400       1.466700    
 H   -1.850900      -1.219800      -1.746200    
 H   -1.909400      0.4469000      -2.250400    
 H   -1.140300     -0.6721000      0.4389000    
 H   -4.727800      0.6129000       2.099700    
 H   -3.096000      0.4889000       2.715800    
 H   -3.759700      -2.228500     -0.4750000    
 H   -5.191700      -1.286100     -0.1298000    
 H   -2.648300      -1.483900       1.482000    
 H   -4.292700      -1.680300       1.990700    
 H   -5.743600       1.454000      -1.543600    
 H   -5.469300       2.577400     -0.2244000    
 H   -5.911800      0.8996000      0.1302000    
 H   0.6887000      0.3065000       1.217900    
 H    1.996100      -1.500200       2.179300    
 H    2.771200      0.9324000       2.218700    
 H    1.086700      -1.390600      -2.038800    
 H    2.046300       1.434800      -2.005000    
 H    2.638600      -3.874100       1.965800    
 H    4.702400       2.461200       2.057800    
 H    1.716600      -3.758900      -2.229500    
 H    3.968300       2.965700      -2.145800    
 H    2.498500      -5.010200     -0.2352000    
 H    5.305100       3.482900     -0.1210000    


%chk=000015988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015988

0 1
O 0.141996 0.703303 -0.599124
N -3.940092 1.261666 -0.282955
C -3.344978 0.994480 1.056942
C -3.571919 0.171025 -1.231634
C -1.799635 1.103457 0.926298
C -2.042213 0.250133 -1.477367
C -1.200054 0.211240 -0.188868
C -3.856970 -0.349555 1.665723
C -4.089888 -1.221119 -0.750389
C -3.679408 -1.560911 0.709717
C -5.367468 1.626991 -0.270831
C 1.225574 0.438691 0.371000
C 1.479205 -1.063243 0.521430
C 2.455057 1.221053 -0.106612
C 1.321502 -1.703780 1.773467
C 3.720564 0.972240 0.483534
C 1.854420 -1.837568 -0.606377
C 2.341749 2.230286 -1.092888
C 1.541279 -3.095676 1.905389
C 4.852755 1.722589 0.097997
C 2.069522 -3.225713 -0.480417
C 3.477530 2.976584 -1.483604
C 1.915405 -3.859655 0.777382
C 4.735657 2.729526 -0.888908
H -3.669650 1.813968 1.729480
H -4.065290 0.397419 -2.198045
H -1.560822 2.152526 0.668341
H -1.334080 0.876614 1.905561
H -1.716848 -0.558913 -2.157782
H -1.833030 1.214295 -1.977132
H -1.081524 -0.830306 0.165190
H -4.934245 -0.229347 1.900089
H -3.347569 -0.545919 2.629795
H -3.734841 -2.012028 -1.439710
H -5.196712 -1.217358 -0.821046
H -2.630933 -1.909849 0.735757
H -4.289973 -2.409993 1.074068
H -5.678779 1.902403 -1.295448
H -5.509117 2.513824 0.374429
H -6.065511 0.832845 0.090841
H 0.929999 0.840114 1.366827
H 1.027939 -1.111421 2.650169
H 3.821852 0.182608 1.237715
H 1.970682 -1.340893 -1.576262
H 1.364203 2.412586 -1.546358
H 1.418845 -3.580052 2.880811
H 5.824485 1.519210 0.562488
H 2.360106 -3.815870 -1.357089
H 3.378308 3.752699 -2.251446
H 2.085850 -4.937880 0.874722
H 5.614368 3.310678 -1.191269


