%chk=000071203.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071203

0 1
 O  -0.5277000      -3.132900      8.4700003E-02
 N    1.787400       1.888800     -0.2801000    
 N  -0.6673000     -0.8856000     -0.2304000    
 C    2.203000     -0.6263000     -0.1520000    
 C    1.364400      0.5373000     -0.7319000    
 C    2.352500     -0.4804000       1.380400    
 C  -8.8900000E-02  0.3319000     -0.4644000    
 C    1.521300      -1.971800     -0.5076000    
 C    3.606600     -0.6283000     -0.8035000    
 C    2.820100      0.9199000       1.773000    
 C    1.915800       1.999900       1.181000    
 C   0.8702000       2.925500     -0.8236000    
 C   -1.020600       1.333000     -0.3583000    
 C  -0.6264000       2.768500     -0.4373000    
 C   4.9199998E-02  -2.085400     -0.1658000    
 C   -2.268100      0.7104000     -0.1102000    
 C   -2.034400     -0.6755000     -3.9099999E-02
 C    4.407900      -1.794300     -0.3018000    
 C   -3.577100       1.199700      8.1100002E-02
 C   -3.088600      -1.574500      0.2041000    
 C   -4.621200      0.3037000      0.3217000    
 C   -4.378300      -1.063400      0.3799000    
 H    1.480300      0.5161000      -1.826100    
 H    3.001100      -1.235400       1.830900    
 H    1.376800     -0.6442000       1.858200    
 H    1.997100      -2.799400      3.0900000E-02
 H    1.606800      -2.174800      -1.583000    
 H    4.147700      0.3041000     -0.6107000    
 H    3.515400     -0.7038000      -1.894700    
 H    2.815600       1.007500       2.866100    
 H    3.856700       1.081500       1.456900    
 H   0.9414000       1.947000       1.681500    
 H    2.344400       2.978100       1.430700    
 H   0.9501000       2.896400      -1.919000    
 H    1.219100       3.925300     -0.5368000    
 H   -1.250400       3.295400      -1.167700    
 H  -0.7984000       3.233400      0.5410000    
 H    4.626100      -1.761200      0.7672000    
 H    3.985800      -2.769000     -0.5567000    
 H    5.388900      -1.771400     -0.7939000    
 H   -3.779900       2.266400      3.9799999E-02
 H   -2.927000      -2.645500      0.2587000    
 H   -5.630300      0.6802000      0.4651000    
 H   -5.201800      -1.747500      0.5682000    


%chk=000071203-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071203

0 1
O -0.557630 -3.230819 0.012876
N 1.802387 1.851466 -0.268357
N -0.714974 -0.919173 -0.294116
C 2.204721 -0.684201 -0.177172
C 1.385533 0.503986 -0.776725
C 2.232924 -0.554313 1.372978
C -0.092729 0.336742 -0.534614
C 1.488727 -2.005431 -0.600980
C 3.635903 -0.647977 -0.801578
C 2.736032 0.837449 1.815925
C 1.841020 1.939838 1.218685
C 0.934630 2.900991 -0.879988
C -1.012442 1.358569 -0.414136
C -0.591715 2.805712 -0.508970
C 0.000719 -2.131370 -0.253513
C -2.298767 0.743740 -0.091693
C -2.094696 -0.678755 -0.021415
C 4.655637 -1.654410 -0.227731
C -3.592077 1.266715 0.144721
C -3.134116 -1.579971 0.273062
C -4.643611 0.371604 0.441693
C -4.417076 -1.030569 0.504468
H 1.584617 0.515145 -1.870837
H 2.859617 -1.355903 1.805523
H 1.210476 -0.708641 1.774971
H 1.982940 -2.882326 -0.148842
H 1.572936 -2.125986 -1.702384
H 4.031349 0.380056 -0.702311
H 3.530843 -0.827956 -1.892096
H 2.716748 0.914725 2.919498
H 3.782453 0.991873 1.492493
H 0.824687 1.850496 1.675066
H 2.234016 2.941399 1.477346
H 1.042770 2.813843 -1.977986
H 1.326767 3.891641 -0.584990
H -1.177270 3.351639 -1.274956
H -0.793515 3.317804 0.454207
H 4.880772 -1.452631 0.835117
H 4.302265 -2.699196 -0.306650
H 5.609386 -1.587491 -0.782513
H -3.775771 2.345763 0.097250
H -2.946040 -2.654363 0.322565
H -5.651263 0.760733 0.626078
H -5.251883 -1.701048 0.736529


