%chk=000094069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094069

0 1
 O  -0.8859000       1.986700      0.3540000    
 O   -4.474300      -1.915000     -0.3138000    
 O    7.323700       1.150000      0.3620000    
 O    7.160800     -0.2432000      -1.426600    
 N    1.085900      0.3063000      0.6690000    
 N   -2.685300      -3.794800     -3.7000000E-02
 C   -1.264100     -0.3509000      0.2570000    
 C   -2.201800      -1.370700      8.1900001E-02
 C   8.0399998E-02 -0.6699000      0.4823000    
 C   -3.101200       1.388100     -3.1300001E-02
 C   -4.039100      0.3683000     -0.2060000    
 C   -1.679400       1.065700      0.2066000    
 C   -3.623700      -1.048300     -0.1556000    
 C   -1.795100      -2.709500      0.1315000    
 C   0.4815000      -2.005300      0.5311000    
 C  -0.4542000      -3.022900      0.3559000    
 C   -3.507900       2.726900     -8.1000000E-02
 C   -5.383600      0.6872000     -0.4305000    
 C    2.461600      0.3216000      0.3781000    
 C   -4.848900       3.040300     -0.3047000    
 C   -5.784700       2.022600     -0.4793000    
 C    2.959400     -0.4151000     -0.6995000    
 C    3.337000       1.073200       1.165800    
 C    4.324100     -0.3999000     -0.9876000    
 C    4.701600       1.088500      0.8776000    
 C    5.195300      0.3519000     -0.1992000    
 C    6.617900      0.3685000     -0.5007000    
 H    1.509800      -2.291600      0.7348000    
 H  -0.1235000      -4.057700      0.4040000    
 H   0.7596000       1.142700       1.143800    
 H   -2.799800       3.540300      5.1700000E-02
 H   -6.134600     -8.5800000E-02 -0.5699000    
 H   -5.163900       4.079100     -0.3431000    
 H   -6.828000       2.269300     -0.6535000    
 H   -2.337200      -4.743700      7.6000001E-03
 H   -3.668800      -3.636700     -0.2036000    
 H    2.302800     -0.9890000      -1.347700    
 H    2.964700       1.650800       2.008300    
 H    4.688200     -0.9759000      -1.834400    
 H    5.344000       1.687100       1.517100    
 H    8.281400       1.154900      0.1499000    


%chk=000094069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094069

0 1
O -0.826258 2.025699 0.354193
O -4.611022 -1.973777 -0.248991
O 7.401121 1.388678 0.482100
O 7.443955 -0.476085 -0.904041
N 1.069949 0.315852 0.348844
N -2.782522 -3.789219 -0.104414
C -1.274772 -0.349309 0.135876
C -2.273201 -1.390414 0.014037
C 0.120718 -0.694694 0.233388
C -3.119499 1.397236 0.025368
C -4.095872 0.370007 -0.120637
C -1.684727 1.063137 0.176008
C -3.697621 -1.059844 -0.122557
C -1.869896 -2.771371 0.020781
C 0.482722 -2.085027 0.291008
C -0.475397 -3.081517 0.190791
C -3.524925 2.757520 0.032591
C -5.464592 0.715828 -0.258641
C 2.468860 0.259292 0.205590
C -4.884419 3.091483 -0.107186
C -5.857876 2.067014 -0.253303
C 3.148024 -0.690586 -0.616020
C 3.233618 1.268093 0.865688
C 4.545609 -0.644894 -0.738665
C 4.629261 1.310444 0.735186
C 5.304609 0.344889 -0.059758
C 6.774985 0.342743 -0.223509
H 1.524858 -2.360665 0.468091
H -0.172940 -4.133368 0.258211
H 0.608161 1.257255 0.475676
H -2.753845 3.524807 0.148772
H -6.191016 -0.095074 -0.367310
H -5.193645 4.142254 -0.103404
H -6.915613 2.330278 -0.361607
H -2.480394 -4.761338 -0.092435
H -3.774515 -3.501471 -0.203612
H 2.581092 -1.420767 -1.199763
H 2.714563 2.005210 1.488180
H 5.073405 -1.361553 -1.376690
H 5.212085 2.079890 1.248580
H 8.381675 1.327460 0.328587


