%chk=000154567.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154567

0 1
 O   -3.581500       2.782800      0.1399000    
 O   -1.398600       2.541000     -0.5497000    
 O    6.694500      5.4400001E-02   1.647500    
 N   -3.953800      9.7499996E-02  0.2492000    
 N  -0.5761000     -0.3386000     -0.8242000    
 N    5.843000      5.5199999E-02 -0.5510000    
 C   -2.617900      -1.636800     -0.1805000    
 C   -3.904100      -1.278200      0.2286000    
 C   -1.899000     -0.4293000     -0.4043000    
 C   -2.746900      0.6194000     -0.1318000    
 C   -2.296800      -3.004700     -0.2871000    
 C   -4.889200      -2.222900      0.5379000    
 C   -3.272200      -3.960700      1.8900000E-02
 C   -4.547700      -3.573600      0.4249000    
 C   -2.486400       2.023300     -0.2081000    
 C    1.721500     -0.2156000     -1.5699999E-02
 C   0.2625000     -0.3104000      0.1731000    
 C    2.548300     -0.1893000       1.095100    
 C    2.235300     -0.1536000      -1.300300    
 C    4.462400     -3.5399999E-02 -0.3713000    
 C    3.928700     -9.8600000E-02  0.9159000    
 C    3.615700     -6.2899999E-02  -1.479300    
 C   -3.445800       4.207500      0.1017000    
 C   -4.757200       4.839200      0.5176000    
 C    6.842400      9.4999999E-02  0.4304000    
 C    8.219100      0.1952000     -0.1773000    
 H   -4.765900      0.6404000      0.5090000    
 H   -1.306900      -3.322200     -0.6020000    
 H   -5.882500      -1.922400      0.8540000    
 H   -3.030200      -5.017200     -6.1600000E-02
 H   -5.289900      -4.333000      0.6577000    
 H  -8.8900000E-02 -0.3562000       1.222700    
 H    2.143100     -0.2377000       2.101900    
 H    1.597700     -0.1730000      -2.179300    
 H    4.519600     -8.2099997E-02   1.821000    
 H    4.017900     -1.4400000E-02  -2.488200    
 H   -2.649800       4.514300      0.7888000    
 H   -3.187900       4.519800     -0.9161000    
 H    6.152900      9.7199999E-02  -1.519700    
 H   -4.688800       5.930300      0.4995000    
 H   -5.565500       4.524100     -0.1505000    
 H   -5.036100       4.518700       1.526800    
 H    8.416700     -0.6877000     -0.7916000    
 H    8.970700      0.2529000      0.6149000    
 H    8.287200       1.094200     -0.7963000    


%chk=000154567-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154567

0 1
O -3.839713 2.687828 0.627399
O -1.500294 2.706552 0.626207
O 7.055814 1.532274 0.250828
N -4.060186 0.145243 0.063416
N -0.440768 -0.541884 -0.134853
N 6.071728 -0.545720 -0.235631
C -2.651197 -1.591927 -0.345901
C -4.031182 -1.209083 -0.244188
C -1.828514 -0.420102 -0.087855
C -2.750418 0.652549 0.165968
C -2.314009 -2.933517 -0.656506
C -5.084079 -2.133018 -0.444373
C -3.354508 -3.857349 -0.856957
C -4.724604 -3.458681 -0.751354
C -2.577293 2.065442 0.483935
C 1.868737 0.171481 0.003504
C 0.428306 0.428342 0.087537
C 2.787018 1.230685 0.247497
C 2.391247 -1.115311 -0.318545
C 4.683633 -0.252022 -0.143588
C 4.179081 1.037540 0.178754
C 3.773888 -1.323326 -0.391037
C -3.809997 4.142570 0.956930
C -5.260120 4.602672 1.066570
C 7.165303 0.307053 -0.046314
C 8.528485 -0.358362 -0.228047
H -4.877507 0.738230 0.204005
H -1.261127 -3.220227 -0.733559
H -6.135059 -1.835135 -0.365850
H -3.120858 -4.899972 -1.098273
H -5.511647 -4.203787 -0.913877
H 0.118793 1.457226 0.340872
H 2.397385 2.225677 0.495688
H 1.681703 -1.927072 -0.505705
H 4.878469 1.853398 0.366611
H 4.164306 -2.319310 -0.640272
H -3.251675 4.273293 1.901440
H -3.258377 4.668408 0.156811
H 6.294892 -1.515056 -0.472886
H -5.290848 5.680662 1.308313
H -5.798045 4.447195 0.115500
H -5.790665 4.055218 1.864628
H 9.113247 -0.232526 0.699285
H 9.076569 0.163304 -1.031647
H 8.477686 -1.433558 -0.473380


