%chk=000128968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128968

0 1
 O   -2.369800      -1.381100     -0.9975000    
 O   -4.543100      0.3540000     -0.5957000    
 O  -0.2265000       2.270000      -1.060200    
 O    4.363800       1.151700      0.2434000    
 O    4.357800      -1.609100      0.5727000    
 N   -1.637400       1.007800      0.2361000    
 N  -0.3693000      -1.796100      0.1784000    
 C   -1.961800     -0.1392000       1.071100    
 C   -3.412200      0.1083000       1.520200    
 C   -3.989800       1.076300      0.4954000    
 C   -2.786900       1.886300      4.4399999E-02
 C   -1.764100      -1.433200      0.2873000    
 C  -0.4093000       1.294800     -0.3284000    
 C   0.7623000      0.4224000     -2.9700000E-02
 C   0.7403000     -0.9746000      0.1397000    
 C    1.995000       1.113900      8.8999998E-03
 C    1.986800      -1.618800      0.3393000    
 C   -2.176400      -2.592900      -1.713700    
 C    3.200000      0.4467000      0.2114000    
 C    3.197100     -0.9266000      0.3737000    
 C    5.043700       1.339300     -0.9970000    
 H   -1.310600     -0.1325000       1.954800    
 H   -3.989000     -0.8167000       1.616700    
 H   -3.393000      0.6020000       2.500100    
 H   -4.783200       1.703600      0.9106000    
 H   -2.842500       2.214300     -0.9982000    
 H   -2.630100       2.757300      0.6903000    
 H   -2.256600      -2.235500      0.8524000    
 H  -0.1823000      -2.794700      0.1770000    
 H   -3.819800     -8.6099997E-02  -1.071600    
 H    2.025800       2.195700     -0.1151000    
 H    2.011500      -2.700000      0.4809000    
 H   -2.460200      -3.462900      -1.112700    
 H   -1.144700      -2.685500      -2.065500    
 H   -2.822600      -2.565600      -2.596000    
 H    5.090600     -0.9703000      0.6072000    
 H    5.969200       1.887400     -0.8005000    
 H    4.427400       1.927600      -1.684300    
 H    5.296900      0.3761000      -1.451000    


%chk=000128968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128968

0 1
O -2.368876 -1.410693 -0.874272
O -4.493986 0.301595 -0.761469
O -0.060779 2.265624 -1.059979
O 4.639109 0.579624 -0.294671
O 4.422188 -2.001782 0.397358
N -1.530025 1.004205 0.177252
N -0.381973 -1.905354 0.487069
C -1.923236 -0.066892 1.113915
C -3.387883 0.300950 1.482405
C -3.915147 1.140200 0.283955
C -2.655603 1.903219 -0.188107
C -1.752121 -1.476208 0.484554
C -0.273750 1.217098 -0.354912
C 0.849229 0.251828 -0.074132
C 0.788180 -1.135908 0.280850
C 2.138485 0.838086 -0.279169
C 2.006464 -1.866706 0.434223
C -2.308520 -2.675177 -1.615908
C 3.316560 0.113377 -0.125795
C 3.249664 -1.263278 0.241147
C 4.803091 1.973191 -0.714922
H -1.274729 -0.057165 2.011768
H -4.026790 -0.581402 1.653236
H -3.387990 0.912981 2.402388
H -4.723791 1.827410 0.578512
H -2.664454 2.085415 -1.274515
H -2.542728 2.880715 0.320829
H -2.330493 -2.222725 1.070957
H -0.213584 -2.892431 0.679052
H -3.795854 -0.384145 -0.998792
H 2.133521 1.884912 -0.597963
H 1.987926 -2.928195 0.705801
H -2.806993 -3.495403 -1.057699
H -1.259800 -2.950258 -1.831583
H -2.843593 -2.494903 -2.560639
H 5.191553 -1.399725 0.208269
H 5.888087 2.128213 -0.805855
H 4.384485 2.663548 0.041672
H 4.311151 2.150261 -1.689931


