%chk=000051615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051615

0 1
 O    3.206100       1.042700       2.518500    
 O    5.101000      -2.140700     -0.9755000    
 O   -4.203800       1.031100      -1.244100    
 O   -1.911500      -2.062200       1.604600    
 O   -4.266000      -1.139400      0.4764000    
 N   0.8962000       2.593900      0.1142000    
 C   0.6589000       1.403800     -0.7253000    
 C    1.854800      0.4625000     -0.7761000    
 C    2.837100       1.605100       1.261100    
 C    2.876100      0.5386000      0.1907000    
 C    1.460600       2.256600       1.413900    
 C  -0.6669000      0.7193000     -0.4023000    
 C    1.936900     -0.5038000      -1.793200    
 C    3.968600     -0.3389000      0.1043000    
 C  -0.6869000     -0.3702000      0.4616000    
 C   -1.843600       1.190600     -0.9748000    
 C    4.035500      -1.295800     -0.9083000    
 C    3.019800      -1.379200      -1.855500    
 C   -3.054800      0.5649000     -0.6795000    
 C   -1.898100     -0.9960000      0.7568000    
 C   -3.082100     -0.5285000      0.1864000    
 C   -4.916200       2.037300     -0.5272000    
 C  -0.6581000      -2.476800       2.144300    
 C   -4.663600      -2.215000     -0.3708000    
 H   0.5685000       1.797500      -1.748200    
 H    3.580000       2.368700      0.9974000    
 H   0.7811000       1.615500       1.989000    
 H    1.567000       3.169900       2.011900    
 H   3.2400001E-02   3.122900      0.2277000    
 H    1.154500     -0.5768000      -2.544800    
 H    4.778400     -0.2737000      0.8276000    
 H   0.2487000     -0.6910000      0.9011000    
 H   -1.827300       2.042700      -1.649500    
 H    3.061000      -2.117800      -2.651500    
 H    3.213400       1.763600       3.171100    
 H    4.985100      -2.734000      -1.737500    
 H   -5.227400       1.664600      0.4538000    
 H   -5.809300       2.299400      -1.100900    
 H   -4.299400       2.934000     -0.4103000    
 H  -0.8559000      -3.338500       2.790500    
 H  -0.2146000      -1.701400       2.778400    
 H   2.6600000E-02  -2.819900       1.360900    
 H   -5.622900      -2.597300     -1.1500000E-02
 H   -3.928800      -3.025500     -0.3354000    
 H   -4.789700      -1.867600      -1.401100    


%chk=000051615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051615

0 1
O 3.510247 0.908357 2.502879
O 5.146083 -2.213515 -1.004856
O -4.118650 1.333302 -1.492417
O -2.121232 -1.926742 1.542457
O -4.400077 -0.861863 0.336436
N 1.043707 2.616277 0.243277
C 0.770491 1.543787 -0.758578
C 1.948204 0.571231 -0.821059
C 2.976483 1.572570 1.296516
C 2.975496 0.555331 0.162971
C 1.560285 2.133796 1.537956
C -0.577562 0.837832 -0.499358
C 2.011589 -0.361528 -1.883072
C 4.026665 -0.385454 0.079134
C -0.675184 -0.271190 0.378677
C -1.752221 1.364993 -1.077761
C 4.068778 -1.305661 -0.986881
C 3.060518 -1.296582 -1.982378
C -3.017178 0.794968 -0.800944
C -1.935380 -0.837931 0.672025
C -3.124317 -0.325241 0.068489
C -5.282498 1.757315 -0.684208
C -0.932831 -2.455692 2.220617
C -4.601890 -2.274365 -0.055798
H 0.685911 2.053515 -1.739120
H 3.634983 2.421111 1.008742
H 0.939026 1.342636 2.018248
H 1.608911 2.991868 2.234543
H 0.234379 3.241402 0.344700
H 1.217853 -0.361678 -2.639305
H 4.796581 -0.414373 0.853742
H 0.238072 -0.700194 0.800085
H -1.715390 2.215642 -1.767707
H 3.091335 -2.007516 -2.818329
H 3.710747 1.600736 3.182261
H 5.087608 -2.808974 -1.792826
H -5.683439 0.913694 -0.099469
H -6.022727 2.114783 -1.416413
H -4.993446 2.585730 -0.008026
H -1.309618 -3.256022 2.874232
H -0.439943 -1.674038 2.829594
H -0.205638 -2.872044 1.497326
H -5.654025 -2.491699 0.184466
H -3.931205 -2.934164 0.519549
H -4.428099 -2.399206 -1.141518


