%chk=000120820.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120820

0 1
 O   0.6278000      2.4300000E-02   2.119500    
 O   0.7426000      0.3826000      -2.134000    
 O    4.305100      -2.782700      0.6384000    
 N   -3.437300     -0.2825000      0.6458000    
 C   -2.156500      0.2596000       1.098600    
 C  -0.9451000     -0.3476000      0.3464000    
 C   -3.690900      9.6900001E-02 -0.7512000    
 C   -3.465800      -1.742300      0.8133000    
 C   0.4650000      0.2264000      0.7052000    
 C   -5.049600     -0.4207000      -1.225600    
 C   -4.817400      -2.320100      0.3902000    
 C   -5.163100      -1.929900      -1.042300    
 C   -2.032300     -9.6000005E-03   2.599700    
 C    1.554900     -0.5275000     -7.1300000E-02
 C   0.6079000       1.743000      0.4853000    
 C    1.617000     -0.3959000      -1.436900    
 C    2.427500      -1.308900      0.6479000    
 C  -6.3299999E-02   2.313300     -0.5663000    
 C    1.400000       2.453400       1.351000    
 C    3.422800      -2.001000     -4.2199999E-02
 C    2.612400      -1.087900      -2.126900    
 C   6.6500001E-02   3.687800     -0.7660000    
 C    1.529800       3.827800       1.151400    
 C    3.515300      -1.890600      -1.429500    
 C   0.8631000       4.444900      9.3000002E-02
 C   0.9102000      0.4378000      -3.549100    
 C    4.153500      -2.850600       2.055500    
 H   -2.184200       1.347100      0.9679000    
 H   -1.097300     -0.2982000     -0.7316000    
 H  -0.8865000      -1.420400      0.5766000    
 H   -2.941000     -0.2959000      -1.444800    
 H   -3.688400       1.189400     -0.8484000    
 H   -3.318300      -2.039600       1.856100    
 H   -2.705200      -2.249500      0.2095000    
 H   -5.848900      7.6800004E-02 -0.6617000    
 H   -5.197100     -0.1641000      -2.280800    
 H   -5.600800      -1.956400       1.067400    
 H   -4.799700      -3.412300      0.4805000    
 H   -4.479200      -2.435400      -1.735100    
 H   -6.176900      -2.263700      -1.289000    
 H   -1.677300      -1.016200       2.842800    
 H   -1.372200      0.7229000       3.075600    
 H   -2.998600      0.1280000       3.102800    
 H   0.4285000     -0.9047000       2.326800    
 H    2.347100      -1.375300       1.722600    
 H  -0.7619000       1.791900      -1.208100    
 H    1.946100       1.998100       2.170300    
 H    2.745700      -1.050600      -3.202400    
 H  -0.4680000       4.172100      -1.578000    
 H    2.152800       4.417300       1.817800    
 H    4.289200      -2.427600      -1.971300    
 H   0.9612000       5.515700     -6.0199998E-02
 H   0.1309000       1.100700      -3.939500    
 H    1.872300      0.8828000      -3.824600    
 H   0.7541000     -0.5421000      -4.012800    
 H    3.193900      -3.296700       2.338200    
 H    4.936200      -3.518200       2.430900    
 H    4.316400      -1.875000       2.526100    


%chk=000120820-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120820

0 1
O 0.781337 -0.282202 2.274510
O 0.380058 -0.549839 -2.109782
O 5.110478 -2.034762 0.596962
N -3.435180 -0.321171 0.552339
C -2.148052 -0.060831 1.272914
C -0.915958 -0.678168 0.529747
C -3.605906 0.472259 -0.686878
C -3.773095 -1.748653 0.336929
C 0.476221 -0.051429 0.835975
C -5.064330 0.397615 -1.188029
C -5.238806 -1.896671 -0.126786
C -5.489547 -1.072027 -1.410307
C -2.264091 -0.496960 2.750031
C 1.612599 -0.717639 -0.012261
C 0.537864 1.480056 0.650472
C 1.551441 -0.947511 -1.419792
C 2.806776 -1.075988 0.661692
C -0.040715 2.105906 -0.483038
C 1.214162 2.284411 1.601793
C 3.898977 -1.662620 -0.016361
C 2.645365 -1.545170 -2.095378
C 0.056354 3.503787 -0.660054
C 1.310659 3.682500 1.423871
C 3.814670 -1.906473 -1.403429
C 0.733331 4.300599 0.291219
C 0.352075 -0.714203 -3.563065
C 5.246697 -1.764715 2.028414
H -2.030516 1.040514 1.262681
H -1.083097 -0.610645 -0.556751
H -0.843541 -1.763556 0.757713
H -2.931282 0.117580 -1.514736
H -3.329296 1.520984 -0.469013
H -3.623189 -2.298441 1.283331
H -3.109210 -2.222219 -0.434228
H -5.723610 0.862722 -0.430026
H -5.163412 0.979422 -2.125372
H -5.904270 -1.534954 0.680759
H -5.465925 -2.966964 -0.299241
H -4.896459 -1.503801 -2.244139
H -6.553786 -1.128755 -1.708540
H -2.235176 -1.598610 2.862679
H -1.434055 -0.071148 3.337385
H -3.221908 -0.136204 3.164270
H 0.549285 -1.224906 2.473790
H 2.850962 -0.860595 1.732041
H -0.553293 1.499992 -1.235363
H 1.646256 1.806885 2.484706
H 2.596648 -1.732069 -3.171668
H -0.398229 3.969830 -1.542124
H 1.834476 4.288947 2.171942
H 4.662783 -2.365110 -1.920110
H 0.808197 5.385333 0.153311
H -0.621261 -0.308369 -3.878298
H 1.168456 -0.145933 -4.049286
H 0.418777 -1.781279 -3.852489
H 4.494052 -2.322898 2.619847
H 6.256473 -2.112404 2.292615
H 5.154764 -0.682552 2.246104


