%chk=000117553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117553

0 1
 O   -3.512400     -0.5484000     -0.5036000    
 O   -3.309700       1.639500      -1.304000    
 O    8.042700      0.3982000      0.4114000    
 N    2.035900     -0.6242000      0.1296000    
 N    2.523000      0.4773000     -0.2182000    
 C   -7.720000      0.3503000      7.8000002E-02
 C   -8.396400      0.1271000       1.432100    
 C   -6.194600      0.3761000      0.2170000    
 C   -9.917300      7.2200000E-02   1.291400    
 C   -5.489900      0.5695000      -1.125400    
 C   -10.35300      -1.078800      0.3988000    
 C   -3.984600      0.6662000     -0.9965000    
 C   -2.124600     -0.5674000     -0.3455000    
 C   -1.308400     -0.9873000      -1.395900    
 C   -1.555200     -0.1662000      0.8630000    
 C   0.6468000     -0.6046000     -2.9100001E-02
 C   7.7299997E-02  -1.005900      -1.237600    
 C  -0.1695000     -0.1849000       1.021200    
 C    6.690600      0.4174000      0.2573000    
 C    3.919100      0.4572000     -5.8300000E-02
 C    6.004700     -0.7620000     -3.3700000E-02
 C    5.990700       1.616600      0.3903000    
 C    4.619100     -0.7419000     -0.1915000    
 C    4.605000       1.636500      0.2325000    
 C    8.695600     -0.8616000      0.2621000    
 C    10.18500     -0.6710000      0.4544000    
 H   -8.067400       1.293700     -0.3600000    
 H   -7.978300     -0.4506000     -0.6223000    
 H   -8.032600     -0.8035000       1.884300    
 H   -8.130300      0.9418000       2.116000    
 H   -5.856200     -0.5596000      0.6789000    
 H   -5.900100       1.182500      0.9005000    
 H   -10.29990       1.017800      0.8911000    
 H   -10.35800     -5.9099998E-02   2.286400    
 H   -5.724400     -0.2471000      -1.817800    
 H   -5.839700       1.495800      -1.596900    
 H   -10.11800     -0.8932000     -0.6531000    
 H   -11.43890      -1.205800      0.4647000    
 H   -9.887300      -2.021300      0.7038000    
 H   -1.746300      -1.301700      -2.339200    
 H   -2.186100      0.1611000       1.684800    
 H   0.7049000      -1.335700      -2.061500    
 H   0.2647000      0.1286000       1.967100    
 H    6.483600      -1.727600     -0.1545000    
 H    6.519600       2.538300      0.6169000    
 H    4.125300      -1.678600     -0.4385000    
 H    4.067500       2.575300      0.3379000    
 H    8.342500      -1.569700       1.021400    
 H    8.535500      -1.261200     -0.7465000    
 H    10.58030      4.2199999E-02 -0.2766000    
 H    10.39600     -0.2583000       1.446500    
 H    10.71890      -1.619400      0.3462000    


%chk=000117553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117553

0 1
O -3.584837 -0.244632 -0.971099
O -3.995437 1.897118 -1.876056
O 8.346798 0.192257 0.339256
N 2.013433 -0.547455 -0.178656
N 2.763399 0.499249 -0.432008
C -7.948006 0.174723 0.079986
C -8.556423 0.406178 1.483106
C -6.456590 0.571120 0.013667
C -10.069082 0.087316 1.579361
C -5.858158 0.345925 -1.405809
C -10.412321 -1.405914 1.376397
C -4.412011 0.790744 -1.477173
C -2.168205 -0.177576 -0.823143
C -1.356615 0.952987 -1.108303
C -1.603620 -1.381802 -0.341427
C 0.617589 -0.346033 -0.418391
C 0.031332 0.857703 -0.901767
C -0.215471 -1.463609 -0.141427
C 6.959359 0.160477 0.183484
C 4.156638 0.308152 -0.200601
C 6.144912 -0.977177 0.451103
C 6.370724 1.368703 -0.274978
C 4.755703 -0.898869 0.259332
C 4.983290 1.437334 -0.464031
C 9.029684 -1.032435 0.813152
C 10.518482 -0.706087 0.883282
H -8.520126 0.764369 -0.666698
H -8.055756 -0.890222 -0.208263
H -8.006366 -0.208243 2.226368
H -8.392494 1.465192 1.770677
H -5.878840 -0.020370 0.750011
H -6.343810 1.637477 0.292326
H -10.617938 0.697835 0.833271
H -10.436826 0.407828 2.574614
H -5.929894 -0.724456 -1.667106
H -6.427851 0.935979 -2.144695
H -10.153105 -1.752320 0.359295
H -11.492533 -1.589048 1.523925
H -9.860890 -2.037803 2.098505
H -1.805987 1.872406 -1.484077
H -2.262849 -2.229485 -0.134015
H 0.685150 1.709588 -1.111312
H 0.251292 -2.381718 0.228863
H 6.587941 -1.913078 0.804280
H 7.020270 2.226305 -0.472373
H 4.109058 -1.759312 0.457470
H 4.505489 2.356826 -0.817132
H 8.629585 -1.311799 1.808983
H 8.830070 -1.860503 0.103058
H 10.901660 -0.417508 -0.110135
H 10.702344 0.127294 1.582302
H 11.083035 -1.589030 1.233999


