%chk=000133877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133877

0 1
 O    2.590400      -2.184400      0.1306000    
 O   -4.205100     -0.9552000      -2.159300    
 O    1.140700     -0.4207000      0.6334000    
 O    7.003200       2.245200      -1.720100    
 N   -1.821600      -1.624500     -0.6177000    
 N    6.793100       1.417600      0.4775000    
 C   -1.080700      -2.102900      0.4313000    
 C   -2.993300      -1.183000     -0.1288000    
 C   0.2718000      -2.669000      0.2495000    
 C   -1.824500      -1.945000       1.579900    
 C   -3.055800      -1.350900       1.208200    
 C   -4.050400     -0.5962000     -0.9799000    
 C   -1.397200      -1.607600      -2.001700    
 C   -4.960900      0.4117000     -0.4600000    
 C    1.347500      -1.597600      0.3692000    
 C   -6.256800      0.5083000     -0.9673000    
 C   -4.538200       1.282500      0.5441000    
 C   -6.707200       2.347000      0.5340000    
 C   -7.129800       1.476000     -0.4702000    
 C   -5.411300       2.250100       1.041200    
 C    3.648200      -1.276100      0.2183000    
 C   -7.640600       3.381000       1.066600    
 C    4.037900     -0.6028000     -0.9181000    
 C    4.261300      -1.090600       1.437400    
 C    5.735500      0.5118000      0.3905000    
 C    5.095200      0.3030000     -0.8310000    
 C    5.318500     -0.1849000       1.524700    
 C    7.346900       2.201700     -0.5433000    
 C    8.483200       3.055400     -3.8600001E-02
 H   0.4611000      -3.406900       1.039100    
 H   0.3779000      -3.185800     -0.7093000    
 H   -1.517900      -2.230100       2.576800    
 H   -3.872100      -1.114500       1.876300    
 H   -1.747400     -0.6879000      -2.476900    
 H  -0.3081000      -1.610800      -2.070700    
 H   -1.813400      -2.487500      -2.498000    
 H   -6.609000     -0.1634000      -1.745900    
 H   -3.524500       1.272300      0.9334000    
 H   -8.136800       1.541800     -0.8736000    
 H   -5.067100       2.930800       1.815400    
 H   -7.542000       4.307500      0.4924000    
 H   -7.431600       3.596700       2.120000    
 H   -8.680600       3.041900       1.009700    
 H    3.539100     -0.7672000      -1.868300    
 H    3.937400      -1.633700       2.319600    
 H    5.361000      0.8039000      -1.751400    
 H    5.808500     -3.2200001E-02   2.483000    
 H    7.207700       1.513500       1.402300    
 H    9.264300       2.419500      0.3876000    
 H    8.908000       3.632900     -0.8643000    
 H    8.115400       3.745300      0.7260000    


%chk=000133877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133877

0 1
O 2.286492 -1.586923 -0.682784
O -4.715106 -0.314178 -2.289714
O 1.361372 -0.480941 -2.544898
O 7.839253 0.299954 2.342312
N -2.000412 -1.256566 -1.606246
N 6.874316 1.506576 0.573232
C -0.996960 -1.931311 -0.915937
C -3.003228 -0.866341 -0.689157
C 0.248535 -2.468391 -1.580323
C -1.351065 -1.986710 0.449566
C -2.596907 -1.320915 0.593456
C -4.273181 -0.241453 -1.087534
C -1.974541 -0.978300 -3.058308
C -5.084826 0.479105 -0.046414
C 1.336612 -1.397345 -1.694003
C -6.492495 0.549349 -0.232218
C -4.511949 1.157485 1.061207
C -6.737810 1.919800 1.798440
C -7.303384 1.247993 0.679168
C -5.330943 1.868228 1.965739
C 3.420810 -0.741867 -0.446495
C -7.619754 2.678777 2.773338
C 4.247235 -1.195288 0.603411
C 3.730623 0.443083 -1.153846
C 5.728114 0.717583 0.269710
C 5.399848 -0.476378 0.969041
C 4.885526 1.160214 -0.783682
C 7.849492 1.288522 1.551314
C 8.949291 2.346915 1.600706
H 0.635703 -3.309591 -0.985951
H 0.029593 -2.829425 -2.600987
H -0.762701 -2.464912 1.230821
H -3.182692 -1.219828 1.504397
H -2.676912 -0.165331 -3.281213
H -0.953919 -0.692443 -3.359382
H -2.308335 -1.864165 -3.628244
H -6.923350 0.050674 -1.106833
H -3.425534 1.160525 1.195796
H -8.389178 1.280657 0.525750
H -4.870313 2.397911 2.808257
H -8.175792 3.488069 2.263462
H -7.028447 3.135107 3.585342
H -8.371964 2.011817 3.235122
H 3.976633 -2.115167 1.130191
H 3.095917 0.793128 -1.967656
H 6.044794 -0.818777 1.779370
H 5.130579 2.080595 -1.329335
H 6.993274 2.341902 -0.003947
H 8.837838 3.149752 0.851198
H 8.964091 2.800145 2.606878
H 9.925658 1.854683 1.451483


