%chk=000170529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170529

0 1
 O    2.583800       3.023700      0.5124000    
 O   0.3043000       2.247800     -0.5773000    
 O   -6.496200      -1.983100      0.5060000    
 N  -0.2901000      7.7900000E-02  8.8600002E-02
 N   -5.863100      0.1875000     -0.1624000    
 C    3.782200     -0.9116000     -0.1803000    
 C    4.734700      7.1800001E-02  0.1781000    
 C    2.025100      0.7672000     -6.9499999E-02
 C    2.431100     -0.5475000     -0.2999000    
 C    2.961700       1.734300      0.2832000    
 C    4.308000       1.390100      0.4068000    
 C   0.6150000       1.106600     -0.2029000    
 C    4.209000      -2.230000     -0.4089000    
 C    6.085800     -0.2922000      0.2981000    
 C   -1.705000      0.1057000      2.4700001E-02
 C    5.555500      -2.573700     -0.2857000    
 C    6.492100      -1.606800      6.7299999E-02
 C   -4.469800      0.1600000     -9.9600002E-02
 C   -2.340900       1.270200     -0.3697000    
 C   -2.419000      -1.032100      0.3586000    
 C   -3.734100       1.297500     -0.4324000    
 C   -3.812300      -1.004800      0.2959000    
 C   -6.763100     -0.8459000      0.1311000    
 C   -8.194600     -0.4126000     -6.2199999E-02
 H    1.724100      -1.311700     -0.6159000    
 H    5.034900       2.152100      0.6831000    
 H    3.494900      -3.002800     -0.6855000    
 H    6.835400      0.4469000      0.5729000    
 H   8.1600003E-02 -0.8050000      0.4290000    
 H    5.872400      -3.596900     -0.4651000    
 H    7.540100      -1.875200      0.1632000    
 H   -1.844400       2.189200     -0.6425000    
 H   -1.915500      -1.944100      0.6674000    
 H   -4.234800       2.211600     -0.7421000    
 H   -4.312500      -1.923700      0.5680000    
 H   -6.267100       1.073200     -0.4598000    
 H    3.368300       3.549400      0.7448000    
 H   -8.347800     -8.7800004E-02  -1.095200    
 H   -8.866800      -1.248700      0.1495000    
 H   -8.426100      0.4113000      0.6185000    


%chk=000170529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170529

0 1
O 2.432873 2.827471 0.954738
O 0.335191 2.097619 -1.072288
O -6.608160 -1.751317 1.002916
N -0.296786 0.199842 0.169226
N -5.975870 0.140607 -0.237534
C 3.925158 -0.934687 -0.338487
C 4.836785 0.017017 0.262630
C 2.068830 0.687397 -0.088813
C 2.550183 -0.562279 -0.494339
C 2.984737 1.619326 0.516274
C 4.332346 1.287937 0.686331
C 0.637522 1.085693 -0.375548
C 4.421827 -2.210076 -0.762662
C 6.214070 -0.350289 0.420512
C -1.715103 0.216389 0.045236
C 5.769066 -2.541564 -0.596680
C 6.669882 -1.602666 0.000257
C -4.556202 0.121393 -0.113963
C -2.417891 1.203967 -0.696071
C -2.449942 -0.807513 0.699233
C -3.821170 1.145367 -0.767764
C -3.853397 -0.865311 0.628388
C -6.914556 -0.745429 0.297328
C -8.361873 -0.389290 -0.049306
H 1.866494 -1.269392 -0.980636
H 5.020267 2.001784 1.159070
H 3.728463 -2.924533 -1.222514
H 6.908597 0.365928 0.875532
H 0.089949 -0.538506 0.762980
H 6.141895 -3.518160 -0.923263
H 7.724599 -1.871695 0.125021
H -1.860853 1.997523 -1.196307
H -1.918595 -1.575842 1.275986
H -4.352196 1.915392 -1.343006
H -4.411453 -1.655416 1.132857
H -6.352496 0.912536 -0.793559
H 3.130761 3.425396 1.321621
H -8.518281 -0.344720 -1.143239
H -9.021348 -1.161909 0.370918
H -8.646523 0.589811 0.379227


