%chk=000037336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037336

0 1
 O    3.463100     -0.5835000      -2.931200    
 O   -3.484700     -0.5255000       2.929600    
 O    3.788800       3.514700       2.296300    
 O   -3.698200       3.575000      -2.298600    
 O    2.981700       1.463200       2.845800    
 O   -2.937500       1.505500      -2.847200    
 N    1.849900       1.223900      0.3523000    
 N   -1.816100       1.238500     -0.3511000    
 C   0.6293000       1.231100     -0.4532000    
 C  -0.5986000       1.213300      0.4522000    
 C    2.982400      0.7458000     -0.4402000    
 C   -2.963500      0.7893000      0.4391000    
 C    2.122700       2.560600      0.8790000    
 C   -2.057200       2.582400     -0.8784000    
 C    2.968500     -0.7521000     -0.5915000    
 C   -2.987800     -0.7083000      0.5915000    
 C    3.209800      -1.345800      -1.830500    
 C   -3.247500      -1.294800       1.830400    
 C    2.710600      -1.547800      0.5247000    
 C   -2.746700      -1.511300     -0.5234000    
 C    2.999500       2.429200       2.093600    
 C   -2.934500       2.471700      -2.094800    
 C    3.193400      -2.735200      -1.953100    
 C   -3.266300      -2.684200       1.953900    
 C    2.694100      -2.937300      0.4020000    
 C   -2.765400      -2.900500     -0.3995000    
 C    2.935400      -3.530900     -0.8368000    
 C   -3.025100      -3.486900      0.8390000    
 H   0.6460000       2.079800      -1.146300    
 H   0.5721000      0.3323000      -1.082000    
 H  -0.5431000      0.2920000       1.047600    
 H  -0.6066000       2.038800       1.173700    
 H    3.935000      0.9804000      5.4400001E-02
 H    3.014200       1.260600      -1.408900    
 H   -2.984400       1.305300       1.407500    
 H   -3.908500       1.047600     -5.8200002E-02
 H    2.608300       3.196100      0.1282000    
 H    1.224200       3.083400       1.221600    
 H   -2.531800       3.226400     -0.1277000    
 H   -1.150700       3.091000      -1.219300    
 H    2.531500      -1.110400       1.503100    
 H   -2.553800      -1.079300      -1.501500    
 H    3.379600      -3.211400      -2.912100    
 H   -3.467300      -3.154700       2.912700    
 H    2.495600      -3.557100       1.271500    
 H   -2.580000      -3.525900      -1.267900    
 H    2.922900      -4.612700     -0.9321000    
 H   -3.040100      -4.568600      0.9351000    
 H    3.604600      -1.167400      -3.696000    
 H   -3.643100      -1.105100       3.694500    
 H    4.340700       3.420500       3.101900    
 H   -4.250500       3.493700      -3.105200    


%chk=000037336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037336

0 1
O 3.606110 -0.846072 -2.835187
O -3.624980 -0.775999 2.832508
O 3.551730 3.884808 2.390400
O -3.477608 3.955955 -2.386183
O 3.653544 1.569116 2.554894
O -3.625989 1.643032 -2.554608
N 1.908479 1.345733 0.244613
N -1.881916 1.380629 -0.247570
C 0.616830 1.342484 -0.484077
C -0.590307 1.351680 0.480773
C 3.008501 0.656418 -0.484452
C -2.994842 0.712693 0.481857
C 2.294060 2.659259 0.760672
C -2.242273 2.702580 -0.760628
C 2.789303 -0.848701 -0.560217
C -2.804612 -0.796280 0.558912
C 3.101143 -1.578965 -1.735674
C -3.132325 -1.519408 1.734483
C 2.295305 -1.565424 0.555426
C -2.322927 -1.523485 -0.555359
C 3.219609 2.582173 1.972926
C -3.171158 2.646163 -1.971421
C 2.915083 -2.980607 -1.801168
C -2.973058 -2.924249 1.801571
C 2.103314 -2.963750 0.506681
C -2.157567 -2.925124 -0.504989
C 2.413739 -3.672052 -0.676915
C -2.483210 -3.626240 0.678787
H 0.550780 2.186934 -1.215801
H 0.559166 0.411931 -1.073111
H -0.549176 0.418286 1.066647
H -0.508863 2.192271 1.215554
H 3.944182 0.846907 0.074636
H 3.150052 1.064436 -1.510396
H -3.128649 1.124111 1.507519
H -3.926674 0.920743 -0.077417
H 2.796202 3.319383 0.008230
H 1.394674 3.212274 1.088227
H -2.729995 3.370933 -0.005940
H -1.332717 3.238420 -1.088610
H 2.055455 -0.990534 1.456246
H -2.070735 -0.954286 -1.456413
H 3.160128 -3.527194 -2.722017
H -3.229961 -3.465208 2.722511
H 1.711516 -3.494986 1.380242
H -1.774624 -3.464519 -1.377472
H 2.268241 -4.756771 -0.729129
H -2.358457 -4.713479 0.732265
H 3.751917 -1.443849 -3.609652
H -3.783441 -1.370185 3.607255
H 4.148477 3.829429 3.185259
H -4.076576 3.913988 -3.180190


