%chk=000051218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051218

0 1
 O   0.9107000       1.430400       1.808000    
 O    5.013300       1.167700      9.0999998E-02
 O    1.398500       1.421300      -2.808400    
 O  -0.7905000     -0.6092000      -1.329800    
 O   -6.285100       1.943800      0.6452000    
 O   -4.125400       2.224900       1.295600    
 N    1.057500       1.286600     -0.5127000    
 N    3.249700       1.139400      -1.431100    
 N   -2.486200      0.6747000     -0.3325000    
 C    2.864200      0.3494000      0.8614000    
 C    3.465800      0.5354000       2.271900    
 C    1.523800       1.088700      0.7958000    
 C    3.831800      0.9385000     -0.1704000    
 C    2.678200      -1.169100      0.6468000    
 C    1.863400       1.269800      -1.674000    
 C    3.656900       2.001700       2.592500    
 C  -0.3405000       1.665800     -0.6825000    
 C    3.718500      -1.917400      0.1123000    
 C    1.473200      -1.766800      0.9916000    
 C    4.143200       1.363400      -2.561700    
 C    3.550900      -3.288600     -8.1400000E-02
 C    1.305600      -3.138000      0.7980000    
 C   -1.209400      0.4301000     -0.8307000    
 C    2.344500      -3.898900      0.2615000    
 C   -3.581600     -0.2204000     -0.2890000    
 C   -4.795400      0.1823000      0.2455000    
 C   -3.406200      -1.501100     -0.7908000    
 C   -5.860600     -0.7177000      0.2791000    
 C   -4.471600      -2.400900     -0.7573000    
 C   -5.698600      -2.009300     -0.2223000    
 C   -4.998400       1.523800      0.7783000    
 H    4.436200      2.6900001E-02   2.350200    
 H    2.823600      8.4700003E-02   3.040200    
 H    4.238600       2.555800       1.853300    
 H    4.206500       2.083700       3.538200    
 H    2.720900       2.542100       2.749900    
 H  -0.6618000       2.259700      0.1800000    
 H  -0.4731000       2.281200      -1.578900    
 H    4.676100      -1.479300     -0.1492000    
 H   0.6499000      -1.211700       1.428700    
 H    3.763400      0.8413000      -3.445100    
 H    5.157100       1.015100      -2.347200    
 H    4.165300       2.437000      -2.773200    
 H    4.360900      -3.882100     -0.4951000    
 H   0.3676000      -3.614200       1.068400    
 H    2.214500      -4.966800      0.1124000    
 H   -2.666400       1.604300      3.7000000E-02
 H   -2.494300      -1.887100      -1.219900    
 H   -6.825400     -0.4490000      0.7016000    
 H   -4.346800      -3.407500      -1.146200    
 H   -6.526800      -2.711300     -0.1933000    
 H   -6.413600       2.847100       1.005500    


%chk=000051218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051218

0 1
O 1.332678 0.536751 2.499302
O 4.860279 0.893663 -0.720745
O 0.427672 1.633651 -1.928956
O -1.025154 -0.940497 0.157516
O -6.583077 2.476302 -0.401640
O -4.337338 2.803556 0.015268
N 0.900787 1.110309 0.293799
N 2.640588 1.141525 -1.371370
N -2.749847 0.666465 0.046650
C 3.164750 0.189504 0.907641
C 4.148512 0.598431 2.052975
C 1.748487 0.621203 1.314780
C 3.639170 0.794486 -0.430756
C 3.198479 -1.362058 0.690915
C 1.273635 1.290810 -1.061790
C 4.223730 2.117295 2.311083
C -0.500494 1.414252 0.627870
C 4.445617 -1.981478 0.414085
C 2.028837 -2.159427 0.752617
C 3.034872 1.464490 -2.764862
C 4.525717 -3.378205 0.234165
C 2.116266 -3.558982 0.571685
C -1.438810 0.251515 0.236700
C 3.360759 -4.175799 0.318551
C -3.885834 -0.121236 -0.243364
C -5.163501 0.532573 -0.387342
C -3.813486 -1.533212 -0.399115
C -6.319507 -0.243195 -0.678377
C -4.976179 -2.272017 -0.686460
C -6.235062 -1.636589 -0.827804
C -5.285609 1.994366 -0.238397
H 5.150019 0.221868 1.787973
H 3.814921 0.073226 2.964726
H 4.573859 2.663018 1.416234
H 4.941230 2.323311 3.125378
H 3.246742 2.527765 2.623460
H -0.541770 1.546054 1.724251
H -0.800788 2.348616 0.126392
H 5.349550 -1.371530 0.313764
H 1.044789 -1.713188 0.926683
H 2.455392 0.841208 -3.463598
H 4.110893 1.261393 -2.857488
H 2.831488 2.524868 -2.986965
H 5.496222 -3.841009 0.023114
H 1.203083 -4.161848 0.625338
H 3.422671 -5.261069 0.180514
H -2.961174 1.683013 0.106347
H -2.843837 -2.022152 -0.295260
H -7.276109 0.275048 -0.783265
H -4.897431 -3.358596 -0.803126
H -7.131313 -2.222902 -1.052057
H -6.572771 3.464655 -0.289841


