%chk=000049723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049723

0 1
 O    6.252600       1.748100     -0.3956000    
 O   0.2216000     -3.4899998E-02  0.4982000    
 O   -2.406500      -2.014300      -1.053900    
 N   -4.053400     -0.2269000      0.4653000    
 N   -3.688600       2.136100      0.1174000    
 C    6.626400     -0.5699000     -0.4909000    
 C    7.148800      -1.221900      0.7350000    
 C    8.060200     -0.4155000     -0.1428000    
 C    5.726400      0.6273000     -0.3240000    
 C    4.297800      0.4561000     -0.1116000    
 C    3.476000       1.572700      4.2100001E-02
 C    3.749700     -0.8255000     -6.1000001E-02
 C   -1.836100     -0.8764000     -0.4063000    
 C   -2.666000     -0.5148000      0.8256000    
 C    2.106100       1.407600      0.2465000    
 C    2.379700     -0.9906000      0.1432000    
 C    1.566100      0.1270000      0.2958000    
 C  -0.3785000      -1.189000     -8.2199998E-02
 C   -4.456300       1.081500      0.1384000    
 C   -4.995100      -1.246900      0.4447000    
 C   -6.747400      0.2800000     -0.2202000    
 C   -5.901800       1.326800     -0.2251000    
 C   -6.282800      -1.054200      0.1261000    
 C   -8.198800      0.4177000     -0.5648000    
 H    6.408800      -1.196500      -1.350000    
 H    6.888000     -0.8091000       1.701900    
 H    7.262900      -2.298900      0.7265000    
 H    8.426800      0.5231000      0.2538000    
 H    8.787100     -0.9535000     -0.7399000    
 H    3.880300       2.580800      6.8999999E-03
 H    4.355200      -1.720100     -0.1698000    
 H   -1.875200     -4.4000000E-02  -1.118900    
 H   -2.641400      -1.345100       1.544100    
 H   -2.227000      0.3439000       1.347200    
 H    1.469400       2.279600      0.3660000    
 H    1.998000      -2.005100      0.2051000    
 H  -0.3159000      -2.030300      0.6191000    
 H   0.1122000      -1.485600      -1.019200    
 H   -4.619700      -2.228400      0.7108000    
 H   -6.221800       2.330700     -0.4787000    
 H   -6.985500      -1.879900      0.1243000    
 H   -2.369600      -2.760300     -0.4310000    
 H   -8.463600       1.451500     -0.8118000    
 H   -8.449800     -0.2039000      -1.431000    
 H   -8.826100      0.1083000      0.2782000    
 H   -4.207300       2.978400     -0.1501000    


%chk=000049723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049723

0 1
O 6.189559 1.606008 0.816562
O 0.085520 -0.064344 -0.194613
O -2.688328 -2.291984 -1.282039
N -4.126413 -0.213944 0.348271
N -3.455188 1.822736 -0.616997
C 6.732470 -0.641069 0.177213
C 8.020642 -0.667842 1.043377
C 8.114833 -0.242632 -0.408835
C 5.758052 0.467801 0.436378
C 4.288778 0.242405 0.247143
C 3.409226 1.337698 0.498051
C 3.722418 -0.991029 -0.167501
C -2.058202 -1.047311 -0.802202
C -2.691817 -0.526395 0.504378
C 2.024458 1.207529 0.341738
C 2.328931 -1.140485 -0.328916
C 1.477394 -0.036068 -0.072929
C -0.548027 -1.308230 -0.655280
C -4.467062 1.048155 -0.247317
C -5.092670 -1.128491 0.723189
C -6.872553 0.384910 0.024433
C -5.903332 1.299337 -0.362087
C -6.444657 -0.877589 0.586873
C -8.352768 0.670555 -0.126138
H 6.338401 -1.610294 -0.133520
H 8.089250 0.121228 1.796959
H 8.401655 -1.649512 1.338237
H 8.245774 0.824633 -0.606721
H 8.561142 -0.924654 -1.137815
H 3.854398 2.286102 0.815312
H 4.360285 -1.856382 -0.372408
H -2.243011 -0.309319 -1.596718
H -2.579620 -1.273752 1.315316
H -2.167217 0.404624 0.778309
H 1.342419 2.042789 0.526559
H 1.925271 -2.104811 -0.650748
H -0.360684 -2.119462 0.084654
H -0.137182 -1.616084 -1.636152
H -4.717506 -2.062820 1.149904
H -6.192869 2.265167 -0.791779
H -7.170899 -1.629836 0.904712
H -2.595448 -2.992212 -0.583784
H -8.535284 1.673408 -0.547155
H -8.831094 -0.073235 -0.791578
H -8.868510 0.608711 0.850993
H -3.784636 2.721691 -1.011926


