%chk=000137356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137356

0 1
 O  -0.9769000      0.5739000      0.6954000    
 O    1.609200      0.6894000       1.751200    
 N   -3.829400      0.2549000      -1.345100    
 C   -3.348200      0.6031000       1.184600    
 C   -2.210300       1.175800      0.3205000    
 C   -3.515500     -0.8901000      0.8528000    
 C   -4.642800       1.316200      0.7689000    
 C   -2.510000      0.9034000      -1.164500    
 C    2.593100       1.034200     -0.3754000    
 C   -3.813100      -1.048800     -0.6467000    
 C   -4.873900       1.108800     -0.7372000    
 C    1.420400      0.4070000      0.3579000    
 C    2.714100       2.537000     -0.1423000    
 C    3.946800      0.5206000      0.1044000    
 C   0.1052000       1.083800     -7.1000002E-02
 C    4.146500       2.862400     -0.5546000    
 C    4.937300       1.561500     -0.4072000    
 C    1.396000      -1.101800      0.1168000    
 C    1.274900      -1.562700      -1.175000    
 C    1.496500      -1.945900       1.200100    
 C    1.252800      -2.939900      -1.395300    
 C    1.474600      -3.323100      0.9798000    
 C    1.352600      -3.820000     -0.3180000    
 H   -3.140400      0.7310000       2.252100    
 H   -2.142500       2.257300      0.4991000    
 H   -4.336800      -1.315100       1.442300    
 H   -2.608300      -1.446000       1.116500    
 H   -4.574800       2.387100      0.9936000    
 H   -5.491800      0.9174000       1.336800    
 H   -2.492300       1.846100      -1.725800    
 H   -1.781600      0.2462000      -1.649000    
 H    2.519500      0.8701000      -1.459500    
 H   -4.776800      -1.554600     -0.7855000    
 H   -3.067400      -1.708700      -1.107700    
 H   -4.901100       2.079200      -1.248800    
 H   -5.861500      0.6613000     -0.9050000    
 H    2.583000       2.816300      0.9086000    
 H    2.001400       3.117800     -0.7360000    
 H    4.186200     -0.4749000     -0.2827000    
 H    4.009400      0.4771000       1.198100    
 H   0.1475000       2.160800      0.1296000    
 H  -2.9300001E-02  0.9574000      -1.147400    
 H    4.565600       3.664700      6.1400000E-02
 H    4.178000       3.199400      -1.597200    
 H    5.338300       1.259600      -1.381700    
 H    5.785800       1.675200      0.2752000    
 H    1.231500       1.560500       1.956800    
 H    1.187900     -0.8964000      -2.026800    
 H    1.590200      -1.596300       2.222500    
 H    1.155700      -3.326900      -2.405500    
 H    1.551600      -4.009100       1.818400    
 H    1.334700      -4.892300     -0.4893000    


%chk=000137356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137356

0 1
O -0.967758 0.693685 0.375817
O 1.407420 0.765484 1.597299
N -4.089456 -0.099677 -1.122693
C -3.271800 0.925882 1.126842
C -2.273039 1.272332 -0.001067
C -3.398396 -0.616874 1.260675
C -4.654708 1.522113 0.741426
C -2.829551 0.667268 -1.342794
C 2.721240 1.109618 -0.429115
C -3.831668 -1.195609 -0.134468
C -5.136858 0.820060 -0.583188
C 1.419786 0.481532 0.150646
C 2.870485 2.647996 -0.181676
C 4.023646 0.493276 0.153279
C 0.158679 1.156462 -0.449033
C 4.387790 2.900526 0.109071
C 5.096935 1.550181 -0.191182
C 1.393335 -1.042282 -0.106971
C 1.266822 -1.554588 -1.424206
C 1.530442 -1.956524 0.964159
C 1.263939 -2.946453 -1.663213
C 1.526235 -3.350333 0.729297
C 1.390376 -3.852879 -0.584741
H -2.913934 1.363620 2.075772
H -2.158307 2.377319 -0.078358
H -4.147827 -0.849644 2.040974
H -2.433404 -1.045141 1.580698
H -4.575341 2.618423 0.605016
H -5.369164 1.348143 1.567567
H -3.033792 1.459623 -2.086387
H -2.080237 -0.025368 -1.770311
H 2.712436 0.915597 -1.522655
H -4.752527 -1.800888 -0.052673
H -3.040651 -1.842812 -0.553006
H -5.374658 1.564518 -1.365091
H -6.048693 0.221828 -0.407124
H 2.258868 2.942165 0.689325
H 2.523292 3.230828 -1.054800
H 4.243493 -0.506062 -0.260521
H 3.919409 0.395202 1.250083
H 0.241839 2.260027 -0.371364
H 0.017565 0.875142 -1.511333
H 4.526578 3.162858 1.174312
H 4.799759 3.733362 -0.489198
H 5.358798 1.484421 -1.266213
H 6.030064 1.420504 0.386233
H 0.451167 0.698342 1.871449
H 1.174087 -0.870106 -2.277170
H 1.647747 -1.559190 1.977034
H 1.163111 -3.323099 -2.687706
H 1.631921 -4.043483 1.572048
H 1.386105 -4.933422 -0.767566


