%chk=000035431.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035431

0 1
 O    3.507500      0.4628000       2.227200    
 O    3.933700      -2.257500     -0.9892000    
 O    1.150900       1.804300     -0.3524000    
 N    1.988100     -0.3452000     -7.6399997E-02
 C    3.401700     -9.9999998E-03 -0.1651000    
 C    3.743000       1.012800      0.9359000    
 C    4.234200      -1.294000      1.5100000E-02
 C    3.670300      0.6297000      -1.535800    
 C   0.9894000      0.6007000     -0.1793000    
 C  -0.3617000     -1.6899999E-02 -5.3399999E-02
 C   -1.458500      0.7500000     -0.1412000    
 C   -2.840200      0.2476000     -4.1099999E-02
 C   -3.074000     -0.9800000      0.5572000    
 C   -3.878600       1.012400     -0.5474000    
 C   -4.381700      -1.455800      0.6517000    
 C   -5.186300      0.5366000     -0.4527000    
 C   -5.437900     -0.6975000      0.1469000    
 H    3.189700       1.952300      0.8609000    
 H    4.806700       1.273200      0.8880000    
 H    4.045400      -1.766000      0.9858000    
 H    5.305600      -1.074900     -4.5100000E-02
 H    3.201300       1.611700      -1.649500    
 H    3.301700     -3.4000000E-03  -2.351300    
 H    4.746200      0.7748000      -1.689000    
 H    1.737100      -1.313200      0.1025000    
 H    2.568900      0.2124000       2.268700    
 H    2.990300      -2.478200     -0.9195000    
 H  -0.4041000      -1.091200      8.2900003E-02
 H   -1.365400       1.820800     -0.3067000    
 H   -2.287000      -1.593500      0.9839000    
 H   -3.698700       1.975100      -1.018500    
 H   -4.578800      -2.414300       1.123100    
 H   -6.009000       1.126800     -0.8458000    
 H   -6.456300      -1.067300      0.2216000    


%chk=000035431-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035431

0 1
O 3.441472 0.636186 2.262929
O 4.143065 -2.307119 -0.944827
O 1.110485 1.688244 -0.688263
N 2.051630 -0.369463 -0.072590
C 3.493762 0.014321 -0.176305
C 3.832855 1.074518 0.915955
C 4.308553 -1.278941 0.092484
C 3.827831 0.589239 -1.571405
C 0.967736 0.479463 -0.309294
C -0.364726 -0.149953 -0.074834
C -1.508374 0.577736 -0.250868
C -2.898021 0.134978 -0.074469
C -3.255657 -1.183627 0.334285
C -3.943850 1.070249 -0.323101
C -4.606998 -1.547807 0.487033
C -5.297805 0.706075 -0.170657
C -5.635275 -0.605460 0.235451
H 3.352928 2.034246 0.647307
H 4.926723 1.212525 0.963804
H 4.048594 -1.677494 1.096705
H 5.384219 -1.040143 0.081627
H 3.163575 1.433240 -1.812214
H 3.724808 -0.189684 -2.345439
H 4.876347 0.940520 -1.584888
H 1.846982 -1.250208 0.408763
H 2.470812 0.793405 2.374996
H 3.179521 -2.400924 -1.159534
H -0.393959 -1.204840 0.230632
H -1.357972 1.621584 -0.565857
H -2.474691 -1.926143 0.533207
H -3.683410 2.088015 -0.638283
H -4.865464 -2.564969 0.801688
H -6.086609 1.440222 -0.367102
H -6.685587 -0.892891 0.355064


