%chk=000018266.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018266

0 1
 O   -1.039700      0.3121000      0.1813000    
 O    1.068400      0.3490000       1.820600    
 O   0.2330000       1.922000     -0.8565000    
 N   -4.665200      0.7172000     -0.3446000    
 C    1.335600      0.1470000      0.4177000    
 C   -5.822900      5.5000000E-03  0.1957000    
 C   -3.423500      0.1188000      0.1440000    
 C    1.282600      -1.347700      9.4099998E-02
 C    2.698400      0.7376000      4.8000000E-02
 C   -2.219900      0.9179000     -0.3296000    
 C   0.1456000      0.9187000     -0.1585000    
 C   -7.116100      0.6708000     -0.2668000    
 C   -5.735800     -2.3600001E-02   1.718300    
 C   -4.696300      0.7079000      -1.806700    
 C    1.670500      -2.245300       1.062100    
 C    2.873900       1.245900      -1.218300    
 C   0.8487000      -1.736900      -1.152300    
 C    3.695200      0.7378000      0.9963000    
 C    1.622000      -3.607800      0.7673000    
 C    4.115700       1.784300      -1.555400    
 C   0.8002000      -3.099400      -1.447000    
 C    4.936900       1.276300      0.6592000    
 C    1.058500       1.727100       2.135100    
 C    1.186900      -4.034900     -0.4872000    
 C    5.147200       1.799600     -0.6167000    
 H   -5.839000      -1.035800     -0.1554000    
 H   -3.352700      0.1278000       1.236400    
 H   -3.322800     -0.9307000     -0.1637000    
 H   -2.281900       1.953300      2.7000001E-02
 H   -2.125300      0.9138000      -1.418700    
 H   -7.339700      0.4697000      -1.319100    
 H   -7.093700       1.755600     -0.1118000    
 H   -7.970700      0.2816000      0.2992000    
 H   -5.502400      0.9622000       2.137200    
 H   -6.696500     -0.3316000       2.148400    
 H   -5.005900     -0.7522000       2.085900    
 H   -5.601800       1.172300      -2.208400    
 H   -4.619000     -0.3050000      -2.218700    
 H   -3.903200       1.321700      -2.242700    
 H    2.021000      -1.934800       2.041000    
 H    2.119700       1.194700      -1.995100    
 H   0.5553000      -1.025600      -1.917700    
 H    3.563200      0.3186000       1.988600    
 H    1.925300      -4.336300       1.513700    
 H    4.284600       2.178100      -2.553500    
 H   0.4643000      -3.432000      -2.424900    
 H    5.742100       1.283300       1.388100    
 H   2.7100001E-02   2.097800       2.132400    
 H    1.410200       1.826500       3.167700    
 H    1.672300       2.392700       1.521600    
 H    1.150400      -5.095700     -0.7172000    
 H    6.115500       2.214600     -0.8807000    


%chk=000018266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018266

0 1
O -1.005130 0.313952 0.125540
O 1.506178 0.597441 2.124244
O -0.008558 2.406657 0.180600
N -4.668581 0.422566 -0.659038
C 1.379438 0.385159 0.646923
C -5.799357 -0.283284 0.027171
C -3.331243 -0.160038 -0.369935
C 1.217717 -1.135788 0.467724
C 2.638215 0.890340 -0.081019
C -2.335847 0.969342 -0.081158
C 0.083480 1.155397 0.261039
C -7.171343 0.229660 -0.462431
C -5.705713 -0.082005 1.558236
C -4.842901 0.645240 -2.111606
C 0.878070 -1.967622 1.559887
C 2.629539 1.844281 -1.126140
C 1.382137 -1.710863 -0.816344
C 3.879254 0.335553 0.332519
C 0.711375 -3.358073 1.369928
C 3.839536 2.229024 -1.751882
C 1.206517 -3.098157 -1.007419
C 5.084826 0.727429 -0.282409
C 1.866571 1.957003 2.565435
C 0.870352 -3.929253 0.086754
C 5.069317 1.676555 -1.333220
H -5.751543 -1.383349 -0.189100
H -3.379180 -0.827342 0.506508
H -2.952752 -0.777821 -1.215307
H -2.606701 1.525174 0.832950
H -2.256744 1.687686 -0.916450
H -7.365788 -0.018923 -1.519884
H -7.238676 1.326381 -0.337485
H -7.971719 -0.234478 0.141151
H -5.818062 0.990359 1.800053
H -6.509452 -0.646834 2.065660
H -4.743850 -0.427034 1.976360
H -5.707892 1.298265 -2.308673
H -4.972944 -0.300879 -2.695233
H -3.949126 1.160213 -2.506973
H 0.755716 -1.519535 2.548806
H 1.690500 2.305733 -1.442543
H 1.656987 -1.075862 -1.666523
H 3.884948 -0.404753 1.140503
H 0.454651 -3.994787 2.224539
H 3.817597 2.967490 -2.561252
H 1.337459 -3.530547 -2.005998
H 6.033427 0.291252 0.050334
H 1.097918 2.696208 2.275687
H 1.928663 1.879641 3.662567
H 2.844916 2.265859 2.153042
H 0.739556 -5.007707 -0.058988
H 6.004544 1.979572 -1.817449


